NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9743 8.3549 109.7374 45.5086 0.0000 172.6435 2 L 4.4368 8.0100 118.7168 50.6346 44.1068 175.7030 3 S 4.5223 9.7831 118.2369 57.9625 66.2301 174.9097 4 D 4.6584 8.6763 121.4728 57.3064 40.4969 179.1639 5 G 3.6822 8.1120 105.8643 47.8967 0.0000 175.3983 6 E 3.9051 8.2483 121.2853 58.9206 29.4088 179.4925 7 W 4.4224 8.1816 119.0022 59.8436 29.0263 178.3187 8 Q 4.0767 8.4733 119.5444 59.1873 28.4940 178.3043 9 L 4.0279 8.0250 120.0256 57.7969 41.5897 179.6893 10 V 3.7144 7.9912 118.0251 66.2670 31.5707 178.2017 11 L 4.2131 8.5668 118.8910 57.5139 41.1651 179.3381 12 N 4.3922 8.3358 116.5633 56.3262 38.8607 177.4655 13 V 3.7956 7.9450 120.6540 64.6021 31.4743 178.1816 14 W 4.0754 8.8665 129.5251 59.9725 30.3927 177.9584 15 G 3.7654 8.2316 105.9037 47.7547 0.0000 175.7749 16 K 3.8676 7.6686 119.8112 59.1056 32.1736 179.3270 17 V 2.8442 6.8706 118.0604 65.6598 30.9846 177.8083 18 E 3.8375 8.1543 118.2871 58.9286 29.0359 178.4591 19 A 4.2329 7.4649 118.4776 52.8460 19.6019 177.1325 20 D 4.5576 7.8801 114.2922 52.2238 43.5531 176.0684 21 V 3.5394 7.6670 124.1973 66.2215 32.0985 176.8034 22 A 4.0906 8.0130 120.0670 54.9081 18.2506 179.7268 23 G 3.5467 8.0730 105.3012 47.7677 0.0000 175.7186 24 H 4.1266 8.2447 119.1597 58.3231 28.7066 178.1216 25 G 3.5688 8.3784 107.9083 47.7540 0.0000 175.3797 26 Q 3.8644 8.3104 122.6323 58.8783 29.0508 178.0607 27 E 3.7980 7.9747 120.1788 59.0986 29.5488 178.6853 28 V 3.4987 7.8626 118.4133 66.2671 31.5247 178.0907 29 L 3.4050 7.7434 118.3795 57.4717 41.2315 179.6079 30 I 3.6431 7.7058 119.9081 64.4355 37.0052 178.7113 31 R 3.8494 8.0211 118.9627 58.8818 29.7612 178.7323 32 L 3.9114 7.8821 120.3157 58.4659 42.0565 179.2700 33 F 4.5481 8.0921 117.8937 60.3778 38.5641 177.7243 34 K 4.2364 8.3713 117.8026 58.6466 32.0932 179.0987 35 G 3.7480 8.0682 105.4548 46.2714 0.0000 173.8261 36 H 4.7277 8.2360 118.0507 51.6371 29.7077 171.7415 37 P 4.9239 0.0000 0.0000 65.1084 31.2384 178.3156 38 E 4.2718 8.2441 116.9199 59.3401 29.5454 178.9907 39 T 3.9008 8.4740 111.2191 64.3005 68.7860 176.1845 40 L 3.6519 7.9245 123.0304 57.9647 41.7237 178.6855 41 E 4.0885 8.0499 117.6546 58.9790 29.4278 178.8253 42 K 4.3816 8.1122 117.0349 56.9144 32.6018 176.8735 43 F 4.4602 8.0852 118.9419 55.4055 38.7182 175.9791 44 D 4.3527 8.3946 127.1365 57.0417 40.9661 179.5195 45 K 4.0123 7.8399 117.3707 58.6845 32.4298 177.5335 46 F 5.1569 7.9198 116.4406 57.2105 39.0261 177.8588 47 K 4.0216 7.6547 121.8236 59.4826 31.8225 177.7274 48 H 4.6054 8.0503 113.3551 55.8586 28.8219 175.5832 49 L 4.4628 7.5689 120.6254 54.1260 40.0545 176.6930 50 K 4.3917 9.3403 122.8954 56.5534 32.8503 177.5789 51 S 4.6310 7.4409 113.2304 55.8862 66.8837 174.4231 52 E 3.8755 8.7868 123.1787 59.7984 29.3091 178.9236 53 D 4.4178 8.0235 118.3574 57.2274 40.6914 178.4050 54 E 3.9486 7.9992 118.3733 59.7412 29.3282 178.9911 55 M 4.1197 8.2972 118.9627 58.3275 31.7645 179.0396 56 K 3.9736 8.3814 117.9750 58.9225 32.2699 178.6266 57 A 4.3850 7.7222 119.4686 52.3027 18.9125 177.3153 58 S 4.1585 7.3501 112.9952 58.0204 62.9015 174.4644 59 E 3.9898 9.0554 128.1684 59.8433 29.2811 178.9934 60 D 4.5014 8.1972 118.3187 57.2995 40.8295 178.5446 61 L 3.6048 8.1701 121.0663 57.8991 42.0272 179.0056 62 K 3.9180 7.8278 119.7080 59.3413 32.1351 179.0096 63 K 4.0245 8.3193 118.9946 59.7220 31.9059 178.8484 64 H 4.4300 8.7902 118.9104 59.1513 29.8231 177.5288 65 G 3.5681 8.4936 108.0118 47.7090 0.0000 175.1065 66 N 4.3165 8.3252 119.4794 56.7414 38.9787 177.0065 67 T 3.8659 8.0038 117.0277 66.6116 68.5846 176.6055 68 V 3.5635 7.8846 120.0813 66.3052 31.5836 178.1446 69 L 4.2639 8.1448 118.3487 57.6334 41.4600 179.5612 70 T 3.9279 8.2478 116.0780 66.6197 68.4890 176.4367 71 A 3.9872 8.0335 122.6342 55.0559 18.4158 179.4404 72 L 3.7463 8.1256 119.0791 58.0012 42.0949 179.2535 73 G 3.5439 8.3988 105.9896 47.7215 0.0000 175.7040 74 G 3.6531 7.7920 107.0117 47.5778 0.0000 175.5397 75 I 3.8344 7.5082 122.1420 64.1155 37.1012 178.5955 76 L 3.9553 8.1617 120.0503 57.6695 41.1592 179.6963 77 K 3.9071 7.7967 117.1429 58.5260 32.3576 178.5451 78 K 4.0047 7.8660 117.5169 55.4855 32.4026 178.2959 79 K 2.0000 8.6809 119.8000 56.7575 31.7771 176.6450 80 G 4.0943 8.5938 114.4481 47.0278 0.0000 173.4400 81 H 4.5187 7.2686 118.0272 55.1771 27.3619 174.8283 82 H 5.1857 7.3215 111.0988 53.9629 29.7972 176.2243 83 E 4.0017 8.4840 123.1097 60.0124 29.0653 178.3634 84 A 4.0055 7.8912 119.4292 55.2540 17.9180 179.0269 85 E 4.0866 8.0694 116.6059 59.3983 29.6423 179.1228 86 L 4.2722 8.5886 120.7824 58.1730 42.1148 178.7329 87 T 3.8856 8.0677 116.1299 66.4028 68.4754 174.5271 88 P 4.2793 0.0000 0.0000 65.8583 31.1599 178.1259 89 L 3.9998 7.5651 120.2324 57.9522 41.9872 178.7462 90 A 4.1713 8.3296 121.0428 55.2067 18.2706 179.5972 91 Q 3.9356 8.3042 116.7991 59.2519 28.7795 179.3396 92 S 4.0491 8.1007 115.2379 61.7881 63.0743 176.1857 93 H 4.1070 8.6743 119.5729 58.0420 28.1798 177.7937 94 A 2.5800 7.9255 122.4869 54.6151 18.2824 179.3680 95 T 3.8635 7.1432 112.3880 65.7633 69.0078 176.4445 96 K 4.0088 7.4139 119.4794 59.2096 32.6892 177.5034 97 H 4.2286 7.8561 114.5664 56.4026 29.3993 175.6248 98 K 3.5054 7.4902 116.8413 57.1507 28.6775 175.8813 99 I 4.3150 7.8774 118.8207 58.9499 38.1255 175.0921 100 P 4.5112 0.0000 0.0000 62.0243 32.1482 177.5906 101 V 3.6704 8.4530 118.7423 65.9846 31.3211 178.2383 102 K 3.9530 7.8248 119.5354 59.5861 32.1549 178.5257 103 Y 4.2195 7.8757 117.6978 60.5637 37.8097 177.9362 104 L 4.1882 7.9506 119.7876 57.7432 41.4759 179.1208 105 E 4.0388 8.4866 118.9333 59.4670 29.4164 179.4004 106 F 4.9151 7.9606 119.1502 60.2670 38.8842 177.6264 107 I 3.8763 8.3197 118.4086 63.9072 37.7720 178.0709 108 S 4.1963 8.4117 116.3149 61.6659 62.5698 176.3492 109 E 4.0426 8.4777 120.9515 59.5688 29.1760 179.3898 110 A 4.5994 7.9978 121.9230 54.6377 18.3388 179.6963 111 I 3.6517 8.1015 118.5540 64.6158 37.1806 178.6229 112 I 3.7927 7.8403 120.4548 64.6890 37.1199 178.4332 113 Q 4.0566 8.5506 119.1922 59.0978 28.5070 179.3390 114 V 3.5481 8.0581 119.3537 65.7627 31.4588 178.1053 115 L 3.7284 7.9313 118.9306 57.7240 41.1224 179.2751 116 Q 4.2219 8.0929 118.5792 59.2166 29.0830 178.0257 117 S 4.1951 8.0908 113.3851 61.4925 62.6136 176.0068 118 K 4.0555 8.1140 119.9406 58.4310 32.9022 177.1496 119 H 5.0243 8.4492 116.8473 53.5139 29.9955 172.9349 120 P 4.3657 0.0000 0.0000 66.0580 31.4290 179.0205 121 G 3.6216 8.2576 106.4742 47.8111 0.0000 173.5637 122 D 4.8203 8.0748 116.8991 53.9435 41.6543 176.4961 123 F 5.1061 8.1654 120.2894 56.4071 39.4044 174.3916 124 G 3.8958 7.5155 109.5628 43.6955 0.0000 170.9818 125 A 3.8835 8.4949 120.9054 55.6433 18.2181 179.8591 126 D 4.2133 7.9563 116.2597 57.4330 40.9203 178.7430 127 A 3.9992 7.8379 120.7872 55.1033 18.3594 179.4379 128 Q 3.3584 7.9881 117.0785 58.7996 28.7549 179.3536 129 G 3.5209 7.9278 106.3207 47.7880 0.0000 175.5563 130 A 3.8828 8.0575 123.6546 54.9047 18.3158 179.4077 131 M 4.0229 8.3699 116.9645 58.8280 32.2737 178.4665 132 S 4.1606 8.3009 115.4635 61.7603 62.9904 176.8899 133 K 3.8636 8.0883 120.6923 59.2879 31.7496 179.2502 134 A 3.7939 7.9723 120.9805 55.2427 18.2737 179.7852 135 L 4.0830 8.1783 117.6796 57.7497 41.6252 179.3394 136 E 3.9548 8.5671 119.7888 59.1193 29.4923 178.6175 137 L 3.9637 8.1902 120.5577 58.0388 42.1421 178.5636 138 F 4.1040 8.3636 120.5299 61.5353 39.2329 177.3531 139 R 3.5080 8.3872 117.8473 59.1615 29.7685 178.8304 140 N 4.2429 8.4726 116.6602 56.5246 38.5755 177.3053 141 D 4.2835 8.3098 120.4698 57.3206 40.8478 178.8187 142 M 3.6351 7.7702 119.2095 58.0437 31.7909 178.5023 143 A 3.7809 7.8562 120.9339 55.0923 18.6137 179.5326 144 A 3.9059 8.1174 119.4508 55.1821 18.4714 179.7988 145 K 3.9314 8.1092 118.1460 59.6688 32.2634 178.4621 146 Y 4.4749 8.5432 117.4871 61.2076 37.8978 178.5699 147 K 3.9142 8.3670 120.3954 59.7578 32.0866 178.2198 148 E 3.9859 7.9244 117.7873 59.2842 29.5992 178.2172 149 L 4.3178 7.9184 116.9331 55.2729 41.8824 177.8597 150 G 3.8578 7.9874 107.0238 45.4511 0.0000 172.6199 151 F 4.5509 8.0012 121.8142 56.1701 40.0462 175.4123 152 Q 3.8384 8.1423 129.5731 55.0187 28.2191 175.7267 153 G 3.5831 8.2400 113.5179 45.8139 0.0000 171.8434 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 G 8.35 3.97 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 0.00 0.00 0.00 2 L 8.01 4.44 0.00 0.64 0.74 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.78 4.52 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.68 4.66 0.00 2.77 2.84 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 5 G 8.11 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 0.00 0.00 0.00 0.00 6 E 8.25 3.91 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 7 W 8.18 4.42 0.00 3.57 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 8 Q 8.47 4.08 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 9 L 8.03 4.03 0.00 1.97 1.75 0.93 0.89 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 10 V 7.99 3.71 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 1.29 0.00 0.00 0.88 0.00 0.00 11 L 8.57 4.21 0.00 1.82 1.80 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.34 4.39 0.00 2.90 2.93 0.00 0.00 7.03 7.48 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 13 V 7.95 3.80 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 1.16 0.00 0.00 0.91 0.00 0.00 14 W 8.87 4.08 0.00 3.61 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 15 G 8.23 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 16 K 7.67 3.87 0.00 1.46 1.36 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.25 7.81 17 V 6.87 2.84 0.67 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 0.34 0.00 0.00 -0.34 0.00 0.00 18 E 8.15 3.84 0.00 2.13 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 2.42 2.53 0.00 19 A 7.46 4.23 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 20 D 7.88 4.56 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.67 3.54 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 1.09 0.00 0.00 0.93 0.00 0.00 22 A 8.01 4.09 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 23 G 8.07 3.55 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 0.00 0.00 0.00 24 H 8.24 4.13 0.00 3.25 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.38 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 26 Q 8.31 3.86 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 E 7.97 3.80 0.00 2.00 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 0.00 2.21 2.23 0.00 28 V 7.86 3.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 29 L 7.74 3.40 0.00 1.43 0.96 0.92 0.44 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 30 I 7.71 3.64 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.87 0.00 0.00 31 R 8.02 3.85 0.00 1.91 1.93 0.00 3.25 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 32 L 7.88 3.91 0.00 1.69 1.41 1.03 1.25 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 33 F 8.09 4.55 0.00 2.98 2.92 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 34 K 8.37 4.24 0.00 1.74 1.84 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.58 7.81 35 G 8.07 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 36 H 8.24 4.73 0.00 2.98 2.72 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.92 0.00 2.26 2.33 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 38 E 8.24 4.27 0.00 2.32 2.34 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 2.40 2.57 0.00 39 T 8.47 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.92 3.65 0.00 1.62 1.75 -0.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.05 4.09 0.00 2.26 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 2.38 2.39 0.00 42 K 8.11 4.38 0.00 1.65 1.60 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.71 1.86 7.81 43 F 8.09 4.46 0.00 3.25 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 44 D 8.39 4.35 0.00 2.64 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 45 K 7.84 4.01 0.00 1.14 1.50 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 46 F 7.92 5.16 0.00 2.89 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 47 K 7.65 4.02 0.00 1.60 1.79 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.49 7.81 48 H 8.05 4.61 0.00 3.19 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.57 4.46 0.00 1.68 1.60 0.71 0.82 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 50 K 9.34 4.39 0.00 1.69 1.84 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.84 1.52 7.81 51 S 7.44 4.63 0.00 3.99 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 52 E 8.79 3.88 0.00 2.04 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 2.35 2.39 0.00 53 D 8.02 4.42 0.00 2.71 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 54 E 8.00 3.95 0.00 2.11 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 2.34 2.34 0.00 55 M 8.30 4.12 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 56 K 8.38 3.97 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.56 7.81 57 A 7.72 4.38 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 58 S 7.35 4.16 0.00 3.83 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 59 E 9.06 3.99 0.00 2.08 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 2.41 2.42 0.00 60 D 8.20 4.50 0.00 2.95 3.03 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 61 L 8.17 3.60 0.00 1.03 1.56 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.83 3.92 0.00 1.77 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.32 4.02 0.00 2.07 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 64 H 8.79 4.43 0.00 3.55 3.69 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.49 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 66 N 8.33 4.32 0.00 2.87 3.03 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.00 3.87 4.44 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 1.27 0.00 0.00 68 V 7.88 3.56 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 1.08 0.00 0.00 0.93 0.00 0.00 69 L 8.14 4.26 0.00 1.80 1.90 0.86 0.80 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 70 T 8.25 3.93 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 1.25 0.00 0.00 71 A 8.03 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.13 3.75 0.00 1.56 1.61 0.12 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 3.54 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 0.00 74 G 7.79 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.51 3.83 1.86 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 1.11 0.90 0.00 0.00 76 L 8.16 3.96 0.00 1.13 1.57 -0.35 1.11 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 77 K 7.80 3.91 0.00 1.65 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.54 7.81 78 K 7.87 4.00 0.00 1.83 1.85 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.31 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.84 7.81 79 K 8.68 2.00 0.00 1.08 0.74 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.46 0.97 7.81 80 G 8.59 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.27 4.52 0.00 3.22 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.32 5.19 0.00 3.23 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.48 4.00 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 84 A 7.89 4.01 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 85 E 8.07 4.09 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 86 L 8.59 4.27 0.00 1.77 1.66 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.07 3.89 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 1.26 0.00 0.00 88 P 0.00 4.28 0.00 2.29 2.33 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 89 L 7.57 4.00 0.00 2.03 1.87 1.00 1.08 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 90 A 8.33 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.30 3.94 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 92 S 8.10 4.05 0.00 3.98 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 93 H 8.67 4.11 0.00 3.58 3.61 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.93 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.14 3.86 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 96 K 7.41 4.01 0.00 1.52 1.61 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 7.86 4.23 0.00 3.03 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 3.51 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.27 7.81 99 I 7.88 4.32 2.13 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 1.43 1.01 1.21 0.00 0.00 100 P 0.00 4.51 0.00 1.98 1.95 0.00 3.22 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.35 0.00 101 V 8.45 3.67 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 1.12 0.00 0.00 0.99 0.00 0.00 102 K 7.82 3.95 0.00 1.59 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.17 7.81 103 Y 7.88 4.22 0.00 3.26 3.12 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 0.00 104 L 7.95 4.19 0.00 1.87 1.84 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.49 4.04 0.00 2.04 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 2.33 2.49 0.00 106 F 7.96 4.92 0.00 3.19 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 0.00 107 I 8.32 3.88 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 1.14 0.00 0.00 108 S 8.41 4.20 0.00 4.19 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 0.00 109 E 8.48 4.04 0.00 2.33 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 2.44 2.48 0.00 110 A 8.00 4.60 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 0.00 111 I 8.10 3.65 2.11 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 1.61 0.76 1.09 0.00 0.00 112 I 7.84 3.79 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.92 1.18 0.00 0.00 113 Q 8.55 4.06 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 114 V 8.06 3.55 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 0.91 0.00 0.00 0.88 0.00 0.00 115 L 7.93 3.73 0.00 0.87 0.47 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.09 4.22 0.00 2.37 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 117 S 8.09 4.20 0.00 3.87 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 0.00 118 K 8.11 4.06 0.00 1.40 1.39 0.00 1.67 0.00 0.00 1.35 0.00 0.00 2.48 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.28 1.37 7.81 119 H 8.45 5.02 0.00 3.08 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.75 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 4.37 0.00 2.25 2.38 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 121 G 8.26 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 0.00 0.00 0.00 122 D 8.07 4.82 0.00 2.75 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 0.00 123 F 8.17 5.11 0.00 2.97 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 0.00 124 G 7.52 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 0.00 125 A 8.49 3.88 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 0.00 126 D 7.96 4.21 0.00 2.67 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 0.00 127 A 7.84 4.00 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 0.00 128 Q 7.99 3.36 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.17 1.55 0.00 129 G 7.93 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.06 3.88 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 0.00 131 M 8.37 4.02 0.00 2.46 2.38 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.92 0.00 132 S 8.30 4.16 0.00 4.04 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 0.00 133 K 8.09 3.86 0.00 1.81 1.68 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.56 7.81 134 A 7.97 3.79 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 0.00 135 L 8.18 4.08 0.00 1.76 1.82 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.57 3.95 0.00 2.09 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 0.00 2.43 2.32 0.00 137 L 8.19 3.96 0.00 1.83 1.97 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.36 4.10 0.00 3.14 3.24 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 0.00 139 R 8.39 3.51 0.00 1.97 1.87 0.00 3.21 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 140 N 8.47 4.24 0.00 2.90 2.83 0.00 0.00 7.07 7.76 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 0.00 141 D 8.31 4.28 0.00 2.61 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 0.00 142 M 7.77 3.64 0.00 1.18 1.57 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 143 A 7.86 3.78 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 0.00 144 A 8.12 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.11 3.93 0.00 1.99 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.50 7.81 146 Y 8.54 4.47 0.00 3.21 3.03 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 0.00 147 K 8.37 3.91 0.00 1.85 2.02 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.92 3.99 0.00 2.15 2.26 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 2.35 2.38 0.00 149 L 7.92 4.32 0.00 1.91 1.72 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.99 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 0.00 151 F 8.00 4.55 0.00 2.73 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 0.00 152 Q 8.14 3.84 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 153 G 8.24 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00