NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2411 8.2993 119.9977 56.3992 33.8550 175.0763 2 E 3.8990 8.7547 121.9249 55.4932 29.9164 174.5791 3 I 4.1542 8.9646 126.7206 60.0958 39.0077 177.3863 4 T 4.1796 8.2971 122.2396 63.4276 69.6539 174.3062 5 N 4.7611 8.3425 120.0351 53.0581 38.1178 173.1499 6 A 5.1492 7.2587 119.3213 49.1502 22.7159 176.7640 7 L 4.4906 7.8008 119.4443 52.9503 43.9139 175.7114 8 E 4.1454 8.7737 124.3082 56.4317 30.3232 176.7326 9 T 4.4976 8.0737 121.5108 61.7246 71.6176 173.1148 10 W 5.2940 8.5671 126.1345 55.1802 31.8329 176.3331 11 G 4.1021 8.6330 104.6841 45.4163 0.0000 173.3258 12 A 4.6877 9.0349 127.3273 51.2814 19.6966 176.9064 13 L 3.7414 8.4421 119.2563 55.8685 41.9733 177.3857 14 G 3.7622 9.6734 111.4170 44.9044 0.0000 171.6182 15 Q 4.5816 7.2668 116.9314 55.2157 32.9773 174.3511 16 D 5.4178 8.3500 119.6994 52.7487 42.2847 175.5217 17 I 4.6835 7.9933 125.0021 59.6815 41.8051 173.7320 18 N 5.3788 8.4694 121.6805 51.0408 40.7933 174.5754 19 L 4.1996 7.7309 122.3163 52.9419 43.3015 175.2042 20 D 4.9137 8.2179 123.6805 51.5180 41.8503 175.5931 21 I 4.3491 8.6368 117.0697 58.9239 39.0027 173.4503 22 P 4.6173 0.0000 0.0000 62.9292 31.8263 175.5670 23 S 4.5843 8.3081 112.5751 58.2718 62.9958 174.8980 24 F 4.1653 8.3798 121.8431 58.2184 39.7184 174.5222 25 Q 3.9962 7.4880 125.0587 56.1420 29.0030 175.3574 26 M 4.6856 8.2368 117.2256 53.7395 32.9221 174.8275 27 S 4.2951 8.1079 120.3508 59.1860 63.9514 174.2710 28 D 4.1781 7.6956 130.1357 56.6278 42.8942 174.6690 29 D 4.7471 10.0320 125.6659 54.7432 38.4810 174.9478 30 I 4.6754 7.8349 116.5104 59.4660 40.4868 172.9811 31 D 4.6690 8.7298 122.8150 55.6954 43.4000 174.5421 32 D 5.4481 8.3013 118.3493 52.9992 43.0197 174.8064 33 I 4.7505 8.4811 124.9037 59.6777 41.0148 173.7537 34 K 4.8586 8.8108 129.1057 54.3344 34.8369 174.9656 35 W 5.0779 9.1208 126.0882 55.0960 32.3091 174.2281 36 E 5.0550 9.1270 122.0683 54.3931 32.6731 174.8913 37 K 4.7002 8.5226 118.8074 55.6980 33.7566 178.5340 38 T 3.9723 8.3824 113.0905 64.5907 69.6715 177.1208 39 S 4.0945 8.0238 116.0924 60.5623 62.5889 174.8455 40 D 4.3460 8.0015 118.3532 54.7588 41.3803 175.4703 41 K 3.7557 7.5279 118.8454 55.6421 30.2248 174.3532 42 K 4.3753 7.3449 120.7846 54.5961 34.6894 175.3255 43 K 4.8722 8.5642 126.8974 56.7921 30.8967 176.5364 44 I 3.8491 8.3586 126.8642 63.9839 38.7969 175.7295 45 A 5.2925 8.0119 120.7659 50.6181 22.8572 174.7407 46 Q 5.0395 9.0996 115.7595 55.3662 32.5050 173.2123 47 F 4.3727 8.8044 119.4615 55.1800 42.8125 173.6075 48 R 4.6511 8.2526 123.6401 56.1657 32.9396 177.1103 49 K 4.5482 8.3681 110.1945 55.8697 31.7372 174.3356 50 E 3.7446 8.0549 113.1155 56.2387 27.7048 176.3411 51 K 4.1026 8.0105 117.2891 56.7089 33.7466 174.3325 52 E 3.4383 8.6268 123.0767 56.7064 25.9372 172.6911 53 T 4.0956 7.6571 115.1492 61.2263 70.1414 173.5445 54 F 4.9188 7.9854 126.8521 56.4090 39.8206 176.9819 55 K 4.7358 8.5712 121.2449 55.6881 37.4349 177.7865 56 E 3.4816 8.1718 117.4634 57.0547 29.0142 173.7979 57 K 4.4605 8.2819 116.4291 55.5493 34.3092 177.5952 58 D 4.4405 8.6439 118.9872 57.5344 40.6258 179.2004 59 T 3.9029 7.9057 108.2584 63.8764 68.6742 172.8191 60 Y 4.2857 7.7131 119.0127 56.7790 40.9884 174.3716 61 K 4.7516 8.5920 126.3480 54.9808 36.0346 174.4968 62 L 4.7462 8.6869 127.8047 52.9469 42.7514 176.6580 63 F 4.0119 8.2600 126.4246 57.8647 40.1550 175.4453 64 K 3.9084 7.1353 125.3949 59.6505 32.2254 178.2728 65 N 4.4163 7.9181 114.5736 55.5184 38.5994 174.2980 66 G 3.9637 7.2709 114.2832 45.1333 0.0000 170.7980 67 T 4.6322 7.1468 121.8346 63.2553 74.0296 171.6256 68 L 4.8253 8.1890 122.9704 53.5121 46.1292 175.3947 69 K 4.3680 8.5711 122.6646 54.6615 35.9138 175.6991 70 I 4.0510 8.1425 127.5432 59.3350 37.6084 175.5126 71 K 4.2749 8.2645 128.5755 55.6263 33.5223 172.2868 72 H 4.0065 8.8053 130.1506 55.2197 26.2363 174.4179 73 L 4.7549 7.6052 125.8504 55.1240 41.5260 174.8703 74 K 4.3755 7.7460 115.5882 57.1666 35.6811 175.5602 75 T 4.1061 8.0390 115.3855 67.2325 68.3745 176.4761 76 D 4.1666 8.0066 119.0001 56.6407 41.5615 176.9105 77 D 4.5180 7.6255 117.9625 56.2491 40.9137 176.1772 78 Q 4.7153 7.1964 116.3736 55.0943 30.7743 173.1509 79 D 4.5577 8.0259 116.1652 53.3409 44.8587 173.6974 80 I 4.3149 8.0615 121.7369 61.2591 38.0373 175.2834 81 Y 4.9938 8.7312 122.1949 56.1170 42.5588 174.4349 82 K 5.2929 9.0152 121.5618 54.8251 35.7040 175.8219 83 V 3.5247 8.2532 127.1707 61.4549 33.0370 175.3573 84 S 4.6313 8.4123 118.0162 56.9304 67.3666 172.8629 85 I 4.8527 7.8577 124.1722 59.6781 40.0076 174.3324 86 Y 5.3218 8.4147 122.4035 55.1766 42.5357 175.7263 87 D 4.9630 8.6620 121.4757 53.5109 42.8143 177.1616 88 T 4.0088 8.5397 109.2128 65.2819 68.6039 175.7435 89 K 3.9889 7.9981 120.4648 57.4375 32.6778 177.2579 90 G 4.0209 8.2974 104.9585 45.9141 0.0000 172.2896 91 K 4.5956 7.7815 118.7720 54.6011 36.2209 175.7979 92 N 4.5173 8.9663 121.8032 52.7234 37.4670 173.5995 93 V 3.8683 7.9303 118.6680 60.9021 32.6877 175.8804 94 L 4.1493 7.8681 124.3500 54.1812 44.0897 175.3858 95 E 4.9997 8.1709 125.1695 54.5365 33.1846 175.0965 96 K 4.4060 8.4092 122.5180 55.6552 36.5531 174.3261 97 I 4.7293 7.8475 125.8269 60.8795 39.4227 174.6361 98 F 5.1749 9.0308 121.9926 57.1615 44.5637 173.6503 99 D 4.6197 8.7264 118.7575 53.5225 44.4980 174.9856 100 L 4.5321 8.6515 127.4617 54.9277 42.6617 176.2649 101 K 4.6564 8.6759 125.3970 54.5530 36.0325 174.9849 102 I 5.4105 8.0420 122.0981 58.8134 38.9829 175.9195 103 Q 4.2632 9.0940 126.2702 56.2045 29.5097 176.5912 104 E 4.5461 8.6133 120.0084 54.3240 30.0730 175.4792 105 R 4.1020 8.0557 125.5554 57.0284 30.4407 174.6332 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 K 8.30 4.24 0.00 1.88 1.90 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 2 E 8.75 3.90 0.00 2.18 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 2.27 2.39 0.00 3 I 8.96 4.15 1.87 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 1.41 0.72 0.91 0.00 0.00 4 T 8.30 4.18 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 5 N 8.34 4.76 0.00 2.66 2.65 0.00 0.00 6.51 8.15 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 6 A 7.26 5.15 1.16 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 0.00 0.00 7 L 7.80 4.49 0.00 1.48 1.57 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.77 4.15 0.00 1.91 1.53 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 2.28 2.34 0.00 9 T 8.07 4.50 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 10 W 8.57 5.29 0.00 3.16 3.08 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 0.00 0.00 0.00 0.00 11 G 8.63 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 9.03 4.69 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 13 L 8.44 3.74 0.00 1.55 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.67 3.76 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 0.00 0.00 0.00 15 Q 7.27 4.58 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 16 D 8.35 5.42 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.99 4.68 1.77 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 1.32 0.50 0.80 0.00 0.00 18 N 8.47 5.38 0.00 2.42 2.54 0.00 0.00 7.19 7.85 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 19 L 7.73 4.20 0.00 0.27 0.13 -0.10 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.22 4.91 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.64 4.35 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.97 0.00 0.00 22 P 0.00 4.62 0.00 2.30 2.21 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 23 S 8.31 4.58 0.00 3.93 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 24 F 8.38 4.17 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.49 4.00 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.45 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 26 M 8.24 4.69 0.00 2.12 2.07 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 2.44 2.51 0.00 27 S 8.11 4.30 0.00 3.88 3.83 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 0.00 0.00 0.00 28 D 7.70 4.18 0.00 2.62 2.58 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 29 D 10.03 4.75 0.00 2.75 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 30 I 7.83 4.68 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 1.00 0.00 0.00 31 D 8.73 4.67 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.30 5.45 0.00 2.85 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 33 I 8.48 4.75 2.00 0.00 0.00 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 1.31 1.23 1.03 0.00 0.00 34 K 8.81 4.86 0.00 2.11 2.01 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 35 W 9.12 5.08 0.00 3.39 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 36 E 9.13 5.06 0.00 2.11 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 0.00 2.39 2.31 0.00 37 K 8.52 4.70 0.00 1.66 1.62 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.20 1.38 7.81 38 T 8.38 3.97 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 39 S 8.02 4.09 0.00 3.81 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 40 D 8.00 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 41 K 7.53 3.76 0.00 1.82 1.84 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.33 7.81 42 K 7.34 4.38 0.00 1.76 1.58 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 43 K 8.56 4.87 0.00 2.11 1.98 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.71 7.81 44 I 8.36 3.85 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.84 1.10 0.00 0.00 45 A 8.01 5.29 1.51 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 46 Q 9.10 5.04 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 47 F 8.80 4.37 0.00 3.27 3.02 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 0.00 0.00 0.00 48 R 8.25 4.65 0.00 1.77 0.78 0.00 3.09 0.00 0.00 3.06 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 49 K 8.37 4.55 0.00 1.86 1.62 0.00 1.98 0.00 0.00 1.87 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.43 7.81 50 E 8.05 3.74 0.00 2.09 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 2.21 2.20 0.00 51 K 8.01 4.10 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.38 7.81 52 E 8.63 3.44 0.00 1.86 1.57 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 2.18 2.23 0.00 53 T 7.66 4.10 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 0.31 0.00 0.00 54 F 7.99 4.92 0.00 3.02 2.85 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 55 K 8.57 4.74 0.00 2.06 2.10 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.25 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.50 7.81 56 E 8.17 3.48 0.00 2.30 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 2.32 2.51 0.00 57 K 8.28 4.46 0.00 2.00 2.02 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.51 7.81 58 D 8.64 4.44 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 59 T 7.91 3.90 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 1.36 0.00 0.00 60 Y 7.71 4.29 0.00 2.87 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 61 K 8.59 4.75 0.00 1.97 1.60 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 62 L 8.69 4.75 0.00 1.51 1.79 1.38 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.26 4.01 0.00 2.78 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 64 K 7.14 3.91 0.00 1.32 1.71 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.17 7.81 65 N 7.92 4.42 0.00 2.99 3.02 0.00 0.00 6.83 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 66 G 7.27 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.15 4.63 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 0.95 0.00 0.00 68 L 8.19 4.83 0.00 1.00 0.97 0.27 -0.34 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 69 K 8.57 4.37 0.00 1.58 1.51 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.23 7.81 70 I 8.14 4.05 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 1.19 0.74 0.00 0.00 71 K 8.26 4.27 0.00 1.76 1.69 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.29 7.81 72 H 8.81 4.01 0.00 3.30 3.45 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.61 4.75 0.00 1.91 1.82 1.05 0.38 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 74 K 7.75 4.38 0.00 2.04 1.78 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.29 7.81 75 T 8.04 4.11 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 76 D 8.01 4.17 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.63 4.52 0.00 3.05 2.83 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 0.00 0.00 0.00 78 Q 7.20 4.72 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 79 D 8.03 4.56 0.00 2.62 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 0.00 0.00 0.00 80 I 8.06 4.31 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 1.01 0.00 0.00 81 Y 8.73 4.99 0.00 3.21 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.02 5.29 0.00 1.86 1.64 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.55 7.81 83 V 8.25 3.52 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 0.00 0.00 0.54 0.00 0.00 -0.18 0.00 0.00 84 S 8.41 4.63 0.00 3.70 3.26 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 0.00 85 I 7.86 4.85 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.93 0.00 0.00 86 Y 8.41 5.32 0.00 2.86 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 87 D 8.66 4.96 0.00 2.76 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 88 T 8.54 4.01 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 1.29 0.00 0.00 89 K 8.00 3.99 0.00 1.79 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 90 G 8.30 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.78 4.60 0.00 2.03 1.70 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 92 N 8.97 4.52 0.00 2.64 2.49 0.00 0.00 6.14 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 93 V 7.93 3.87 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 0.79 0.00 0.00 0.97 0.00 0.00 94 L 7.87 4.15 0.00 1.38 1.34 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.17 5.00 0.00 1.70 1.67 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 1.95 2.02 0.00 96 K 8.41 4.41 0.00 1.70 1.70 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.04 1.26 7.81 97 I 7.85 4.73 1.95 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 1.23 0.84 1.00 0.00 0.00 98 F 9.03 5.17 0.00 3.34 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 99 D 8.73 4.62 0.00 2.75 2.45 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 0.00 100 L 8.65 4.53 0.00 1.80 1.89 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.68 4.66 0.00 0.79 0.93 0.00 1.51 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.00 0.96 7.81 102 I 8.04 5.41 1.97 0.00 0.00 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 1.42 1.97 0.99 0.00 0.00 103 Q 9.09 4.26 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.11 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 104 E 8.61 4.55 0.00 2.02 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 2.23 2.27 0.00 105 R 8.06 4.10 0.00 1.64 1.70 0.00 3.20 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00