NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9940 8.2829 119.3965 56.5726 41.5220 176.8572 4 K 3.7285 8.3502 127.0551 59.0741 31.2714 182.0596 5 K 4.1029 8.2537 120.9880 59.3111 32.5775 178.3917 6 V 3.5351 7.9024 117.5853 65.9817 31.5202 177.1842 7 A 4.0548 8.0764 123.0115 56.1772 18.1516 180.4278 8 K 3.9900 8.1387 121.6551 60.0822 31.7620 181.0893 9 E 4.2489 8.3053 119.7201 59.3235 29.3089 179.7481 10 T 3.8363 8.2505 116.1920 66.5519 68.5356 176.5211 11 A 4.0411 8.5575 122.9976 55.4121 18.3451 179.8203 12 I 3.6745 7.7963 118.0850 64.7300 37.1104 178.6492 13 T 3.8689 7.8983 116.6130 66.7507 68.3184 175.9051 14 L 3.9889 8.4973 122.2783 58.3533 41.9509 178.4356 15 Q 3.9982 8.4196 119.2723 59.6575 29.0619 179.2809 16 S 4.1081 8.2241 113.7194 61.4808 62.4070 175.4749 17 Y 4.1309 8.3507 122.6280 60.8385 38.6063 178.0188 18 L 3.9426 8.6449 120.0270 57.7658 41.6689 179.6984 19 T 3.8947 7.6337 116.2941 66.6008 68.2933 176.0366 20 Y 3.8932 7.7216 121.0951 60.4709 38.7208 177.6263 21 Q 3.3542 7.9869 120.3756 59.1422 29.1359 177.9870 22 A 3.8933 8.1722 122.0112 55.4533 18.2952 179.8757 23 V 3.4960 7.4733 116.2343 65.8893 31.6243 177.8607 24 R 3.6551 7.6337 118.6169 59.5536 29.7643 177.9316 25 L 3.8624 8.0049 119.9271 58.3869 41.9896 179.1342 26 I 3.7199 7.7868 119.5919 64.5278 36.9688 178.6513 27 S 4.1262 8.6944 116.3748 61.3599 62.3480 176.4623 28 Q 3.9084 7.7777 121.5497 59.2850 29.2113 177.8711 29 Q 4.1502 7.9737 118.8643 59.3165 28.8001 179.2569 30 L 4.0343 8.2019 120.0655 57.8218 41.3981 179.6400 31 S 3.9853 8.3019 113.8924 61.2972 62.6612 175.7507 32 E 4.0075 7.9755 122.4132 59.1064 29.5615 177.3488 33 T 4.3399 7.6462 110.3867 63.2415 68.8666 174.7337 34 N 5.0989 8.7043 119.1225 50.0142 40.5802 172.8994 35 P 4.3965 0.0000 0.0000 65.7224 31.5379 178.8440 36 G 3.6220 8.0727 104.8448 47.8536 0.0000 175.2103 37 Q 4.0917 8.1941 120.5825 58.6216 28.8875 179.0305 38 A 4.0913 8.0108 121.3829 55.2911 18.3142 179.7802 39 I 3.7113 7.8304 118.1651 64.1233 37.1046 178.3864 40 W 4.0748 8.5496 129.4215 60.5620 30.3980 177.5584 41 L 3.9966 8.7170 119.2421 58.1640 41.5720 179.0877 42 G 3.7229 7.9821 105.1863 48.0375 0.0000 175.5863 43 E 3.9436 8.3587 122.2025 58.7870 29.2493 179.3389 44 F 3.7274 8.0623 121.0470 61.2348 39.1457 177.2431 45 S 4.6628 7.9569 115.4785 61.3662 62.6905 176.9717 46 K 4.1654 7.4332 126.4771 59.5116 31.6743 184.2228 47 R 4.3031 7.3335 116.8461 56.6573 30.2133 176.5412 48 H 4.5945 7.0946 115.9356 53.2568 32.0379 171.0872 49 P 4.4498 0.0000 0.0000 62.2138 31.8041 177.2793 50 I 3.2870 8.5511 126.1848 64.1781 38.2534 177.4065 51 Q 4.1369 8.0979 117.9783 57.7755 28.3633 180.8293 52 E 4.4997 7.7161 118.7615 55.1722 28.2608 177.0729 53 S 4.2061 8.1460 118.3052 61.4907 63.7146 176.2498 54 D 4.4967 8.1681 122.1487 57.1121 40.5120 178.6749 55 L 4.1171 7.9666 119.0915 57.6263 41.6838 178.6876 56 Y 4.1293 8.2477 119.6947 60.9027 38.8573 178.2049 57 L 4.1374 8.6682 120.3427 57.6976 41.4454 179.4933 58 E 3.9614 8.0725 117.6752 59.3483 29.8856 178.5989 59 A 4.1844 8.3534 121.2445 55.7397 18.3321 179.4511 60 M 3.8336 8.1500 116.4212 58.7083 31.5206 177.9611 61 M 3.8835 8.1129 119.0660 58.8162 31.9225 178.7758 62 L 4.1351 7.7170 117.5151 57.0821 41.8208 178.3779 63 E 4.7502 7.3854 113.5228 56.4668 31.8696 175.8277 64 N 4.6014 8.6998 118.2547 50.7818 40.1724 174.5166 65 K 3.8942 8.4761 124.6017 58.9272 32.4175 177.9931 66 E 3.8773 8.1571 119.0304 59.4791 29.4938 178.7726 67 L 3.9537 8.0983 118.6473 57.8937 41.7094 179.7737 68 V 3.6313 7.7045 118.0506 65.9868 31.5252 178.1149 69 L 4.0565 8.0843 118.8093 57.4523 41.3470 179.5061 70 R 3.8872 7.8488 118.7985 59.4369 30.0263 178.4974 71 I 3.7355 7.8477 119.6195 64.3567 37.2087 178.2695 72 L 3.9854 7.9805 119.6064 58.1959 41.5575 179.5360 73 T 3.8680 7.7097 114.9089 66.8086 68.4752 176.8308 74 V 3.6053 8.2164 120.5665 65.9615 31.5213 178.1605 75 R 4.0155 8.1830 116.0176 59.2022 29.1052 178.5656 76 E 3.8822 8.1198 119.5114 59.2117 29.7732 178.3027 77 N 4.3126 8.1667 116.5355 56.3110 38.7408 177.0461 78 L 3.9344 8.5182 121.5456 58.0649 42.1580 178.6783 79 A 4.0155 8.1474 120.7699 55.4613 18.1589 179.3519 80 E 3.9939 8.6219 116.4089 58.8944 29.7141 178.5412 81 G 3.9134 8.0174 104.4858 45.9677 0.0000 174.9711 82 V 4.4526 7.5672 119.2845 64.4458 32.9596 177.0683 83 L 3.9760 8.4217 118.7533 58.1271 41.2644 179.7001 84 E 3.5172 7.3948 118.7794 58.8613 30.6769 178.8601 85 F 4.5905 7.8764 116.0519 58.7756 39.1976 178.0470 86 L 4.0601 8.5486 120.0884 57.1725 41.4250 177.0609 87 P 4.2171 0.0000 0.0000 65.9505 31.2569 178.4318 88 E 4.0624 8.1434 115.4470 59.2266 29.7177 178.5229 89 M 3.9884 7.9740 118.8937 58.5793 32.2915 178.4253 90 V 3.5589 8.2430 118.6828 65.8613 31.7161 177.6746 91 L 3.8938 7.8762 120.1315 58.0872 41.9298 178.6627 92 S 4.0715 8.2197 113.1368 61.8025 62.2667 176.2367 93 Q 4.0251 8.1760 120.4472 58.9611 28.3826 179.1732 94 I 3.7038 8.0861 121.1453 64.2802 37.2119 178.3599 95 K 3.8883 8.1454 119.4403 59.6114 31.8999 179.1622 96 Q 3.9184 8.1990 119.5305 59.2294 29.0467 178.0918 97 S 4.0723 8.3378 114.4766 61.3969 62.4432 175.4079 98 N 4.3444 8.8766 119.6499 56.8280 38.3478 177.1918 99 G 3.9522 8.1241 106.3460 48.4579 0.0000 175.3270 100 N 4.4288 8.3791 119.4564 55.8273 38.5721 177.4712 101 H 4.2489 8.1871 117.6663 58.7085 28.8192 177.8954 102 R 3.8724 8.4764 120.1831 59.3682 29.8979 178.8678 103 R 3.8550 8.3768 118.7382 59.8100 30.0787 178.4774 104 S 4.0562 8.1720 112.6046 60.9502 62.2734 176.0207 105 L 3.9269 7.8163 123.2187 57.9902 41.7114 178.4696 106 L 3.9595 7.8369 117.8395 58.1545 41.9426 179.0698 107 E 4.0673 8.4273 118.2576 59.7962 29.2703 179.5083 108 R 3.9432 7.7106 116.7789 59.5974 30.2155 178.5683 109 L 4.2694 7.6825 117.7619 56.4644 42.0351 177.2671 110 T 4.0843 7.5871 110.9633 62.2809 69.9894 175.2152 111 Q 4.0188 8.5171 118.6985 55.5434 27.9806 170.3007 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 3 F 8.28 4.99 0.00 3.19 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 4 K 8.35 3.73 0.00 1.84 1.85 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.12 7.81 5 K 8.25 4.10 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 6 V 7.90 3.54 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 1.06 0.00 0.00 1.00 0.00 0.00 7 A 8.08 4.05 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 8 K 8.14 3.99 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 9 E 8.31 4.25 0.00 2.19 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 2.34 2.36 0.00 10 T 8.25 3.84 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 11 A 8.56 4.04 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 12 I 7.80 3.67 1.88 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 1.54 0.76 0.93 0.00 0.00 13 T 7.90 3.87 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 1.17 0.00 0.00 14 L 8.50 3.99 0.00 1.92 1.70 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.42 4.00 0.00 2.18 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 16 S 8.22 4.11 0.00 4.05 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 Y 8.35 4.13 0.00 3.16 3.15 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 0.00 0.00 0.00 0.00 18 L 8.64 3.94 0.00 1.72 1.72 0.98 0.86 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 19 T 7.63 3.89 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 1.22 0.00 0.00 20 Y 7.72 3.89 0.00 2.97 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 21 Q 7.99 3.35 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 22 A 8.17 3.89 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 23 V 7.47 3.50 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 1.05 0.00 0.00 1.02 0.00 0.00 24 R 7.63 3.66 0.00 1.37 1.79 0.00 2.74 0.00 0.00 2.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 25 L 8.00 3.86 0.00 1.69 1.74 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.79 3.72 2.04 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 1.51 0.61 0.92 0.00 0.00 27 S 8.69 4.13 0.00 3.79 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 28 Q 7.78 3.91 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 29 Q 7.97 4.15 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 30 L 8.20 4.03 0.00 1.86 1.75 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.30 3.99 0.00 4.00 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 32 E 7.98 4.01 0.00 1.98 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 0.00 2.32 2.24 0.00 33 T 7.65 4.34 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 1.26 0.00 0.00 34 N 8.70 5.10 0.00 2.70 2.67 0.00 0.00 6.59 8.29 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 35 P 0.00 4.40 0.00 2.27 2.33 0.00 3.71 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 2.08 2.05 0.00 36 G 8.07 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 37 Q 8.19 4.09 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 A 8.01 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.71 2.09 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 1.44 0.78 0.97 0.00 0.00 40 W 8.55 4.07 0.00 3.46 3.45 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 41 L 8.72 4.00 0.00 2.00 1.93 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.98 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 43 E 8.36 3.94 0.00 2.08 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 0.00 2.30 2.30 0.00 44 F 8.06 3.73 0.00 1.85 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 45 S 7.96 4.66 0.00 4.06 4.07 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 46 K 7.43 4.17 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 R 7.33 4.30 0.00 1.54 1.56 0.00 3.03 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 48 H 7.09 4.59 0.00 2.44 2.99 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.45 0.00 2.23 2.19 0.00 3.74 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 2.11 1.95 0.00 50 I 8.55 3.29 1.59 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 1.22 0.43 0.89 0.00 0.00 51 Q 8.10 4.14 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.20 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 52 E 7.72 4.50 0.00 2.09 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 2.32 2.41 0.00 53 S 8.15 4.21 0.00 4.08 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 0.00 54 D 8.17 4.50 0.00 2.76 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 55 L 7.97 4.12 0.00 1.92 1.78 0.96 0.87 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 56 Y 8.25 4.13 0.00 3.24 3.15 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 0.00 0.00 0.00 0.00 57 L 8.67 4.14 0.00 1.80 1.78 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.07 3.96 0.00 2.22 2.05 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 2.38 2.42 0.00 59 A 8.35 4.18 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 60 M 8.15 3.83 0.00 1.92 1.59 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.40 0.00 61 M 8.11 3.88 0.00 2.08 2.37 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 2.64 2.89 0.00 62 L 7.72 4.14 0.00 1.90 1.78 0.96 0.78 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 63 E 7.39 4.75 0.00 2.20 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 0.00 2.39 2.47 0.00 64 N 8.70 4.60 0.00 1.86 2.27 0.00 0.00 7.17 6.60 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 65 K 8.48 3.89 0.00 1.78 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 66 E 8.16 3.88 0.00 1.95 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 2.38 0.00 67 L 8.10 3.95 0.00 1.97 1.70 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.70 3.63 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 1.05 0.00 0.00 0.98 0.00 0.00 69 L 8.08 4.06 0.00 1.87 1.69 0.90 0.62 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 70 R 7.85 3.89 0.00 2.11 1.92 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 71 I 7.85 3.74 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.60 0.97 0.00 0.00 72 L 7.98 3.99 0.00 1.72 1.73 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.71 3.87 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 74 V 8.22 3.61 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 0.84 0.00 0.00 0.97 0.00 0.00 75 R 8.18 4.02 0.00 2.08 2.41 0.00 3.07 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 76 E 8.12 3.88 0.00 2.11 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 0.00 2.31 2.36 0.00 77 N 8.17 4.31 0.00 2.93 2.87 0.00 0.00 6.73 6.04 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 78 L 8.52 3.93 0.00 1.94 1.67 0.92 1.24 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 79 A 8.15 4.02 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 80 E 8.62 3.99 0.00 2.05 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 2.33 2.33 0.00 81 G 8.02 3.91 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 0.00 82 V 7.57 4.45 2.27 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 1.17 0.00 0.00 1.03 0.00 0.00 83 L 8.42 3.98 0.00 1.72 1.67 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.39 3.52 0.00 1.62 1.12 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 1.97 2.17 0.00 85 F 7.88 4.59 0.00 3.42 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 86 L 8.55 4.06 0.00 1.79 1.74 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.22 0.00 2.14 2.10 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 88 E 8.14 4.06 0.00 2.26 2.23 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 2.42 2.50 0.00 89 M 7.97 3.99 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 90 V 8.24 3.56 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 1.00 0.00 0.00 0.98 0.00 0.00 91 L 7.88 3.89 0.00 1.89 1.69 0.90 0.92 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 92 S 8.22 4.07 0.00 3.93 4.17 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 93 Q 8.18 4.03 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 94 I 8.09 3.70 1.85 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 1.50 0.68 0.89 0.00 0.00 95 K 8.15 3.89 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 96 Q 8.20 3.92 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 97 S 8.34 4.07 0.00 3.97 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 98 N 8.88 4.34 0.00 3.05 2.88 0.00 0.00 6.90 7.47 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 99 G 8.12 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 0.00 100 N 8.38 4.43 0.00 2.63 2.80 0.00 0.00 7.17 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 0.00 101 H 8.19 4.25 0.00 3.39 3.34 0.00 5.82 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 0.00 102 R 8.48 3.87 0.00 2.00 1.98 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 103 R 8.38 3.85 0.00 1.83 2.14 0.00 3.08 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 1.69 1.65 0.00 104 S 8.17 4.06 0.00 3.98 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 0.00 105 L 7.82 3.93 0.00 1.84 1.93 0.92 0.62 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 0.00 106 L 7.84 3.96 0.00 1.81 1.74 0.92 1.22 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 0.00 107 E 8.43 4.07 0.00 2.15 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 2.36 0.00 108 R 7.71 3.94 0.00 1.98 2.03 0.00 3.16 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 109 L 7.68 4.27 0.00 1.89 1.72 0.92 0.95 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 0.00 110 T 7.59 4.08 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 1.30 0.00 0.00 111 Q 8.52 4.02 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.68 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00