NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4595 8.3049 120.3254 55.2733 32.4961 174.1844 2 E 3.9856 8.0823 121.0658 55.4715 30.6307 173.6655 3 E 4.4082 8.5381 121.9952 55.2708 31.8670 176.1027 4 T 4.0366 8.1172 115.7238 62.4837 68.0602 173.6715 5 R 4.7085 7.9644 124.5275 53.7336 34.5940 173.2021 6 P 4.2709 0.0000 0.0000 62.7808 31.7209 177.7467 7 I 3.7647 8.1733 122.0537 63.1089 38.0440 176.2144 8 D 4.3749 7.9236 117.8973 53.8547 39.7965 176.8116 9 G 3.8314 7.9145 108.0061 46.4067 0.0000 173.1849 10 L 4.6756 7.8857 118.9017 53.0269 43.5089 177.4415 11 T 4.3724 9.0955 113.7228 60.8535 71.5163 175.7690 12 D 4.4040 8.5338 120.6601 57.4883 40.6967 178.8188 13 E 3.9838 8.0988 119.4194 59.3175 29.7344 178.3780 14 D 4.3938 8.0943 118.9837 57.4250 40.7837 178.9548 15 I 3.8083 7.7733 120.2472 64.4010 37.1699 178.2895 16 R 3.9543 8.5390 119.9734 59.6233 29.8191 178.3833 17 E 3.9585 8.4116 118.2566 59.5392 29.4240 179.4289 18 I 3.8421 8.0776 119.9159 64.4046 36.9888 178.4467 19 L 4.3702 8.3310 118.9730 57.4993 41.5509 179.0118 20 T 4.1670 7.8115 115.2370 65.6293 68.7759 176.4219 21 R 4.3131 7.8685 119.2631 57.3282 30.9661 175.8768 22 Y 4.9514 7.8828 118.1801 56.9452 37.1898 175.0321 23 K 4.6765 8.5946 121.9975 55.8637 34.3456 175.7203 24 K 4.9722 9.0375 122.2504 55.5910 33.0931 175.5357 25 I 5.0092 9.0650 126.7919 59.3002 40.3802 174.7736 26 A 5.0781 9.0127 128.8132 50.3809 21.0171 175.4693 27 L 4.9161 8.9159 126.3145 53.8327 43.8332 175.2065 28 V 4.1636 8.8017 128.1503 62.5675 32.8971 176.6321 29 G 4.0187 9.2037 115.3965 46.3748 0.0000 173.3172 30 A 3.9697 7.5586 121.3354 52.5109 18.8568 177.5964 31 S 4.3614 7.8409 113.6818 56.2694 65.3597 172.4896 32 P 4.2321 0.0000 0.0000 63.3556 31.9318 176.3064 33 K 4.0992 7.9425 121.0801 55.5899 32.1240 176.0498 34 P 4.6188 0.0000 0.0000 64.7556 31.5213 177.7208 35 E 4.0959 8.0787 115.2058 58.9276 30.0630 177.8607 36 R 4.1283 8.0377 118.8918 55.6554 30.8753 177.2900 37 D 4.3750 8.8992 121.4543 57.5804 40.8285 179.0471 38 A 2.5800 7.7173 120.6505 54.3359 18.0669 179.1479 39 N 4.0594 7.7685 115.6601 56.7553 39.0976 177.2120 40 I 3.6615 7.5030 120.7024 64.4682 37.2053 178.5061 41 V 3.5482 7.7884 119.1500 65.9923 31.2684 177.6115 42 M 3.8824 7.8402 118.0224 58.4883 31.9855 178.0937 43 K 3.8496 8.1432 119.7764 59.6735 32.1902 178.0477 44 Y 4.1504 8.0994 119.7453 60.7829 38.6874 178.1684 45 L 3.9253 8.4115 120.2960 57.7685 41.1812 179.4575 46 L 4.2154 8.1940 119.1736 57.8274 41.3273 179.2111 47 E 4.0741 8.1615 117.1301 58.1367 29.3390 177.2505 48 H 4.5837 7.5368 115.7055 55.3971 29.1797 175.3365 49 G 3.8211 7.8674 105.9336 45.5167 0.0000 173.9371 50 Y 4.1395 7.7528 116.9888 57.3666 39.2074 174.9772 51 D 4.6244 9.4030 123.5152 53.0736 42.5500 175.2868 52 V 4.6905 8.1725 126.8652 61.4776 33.3062 174.5317 53 Y 4.6500 9.2688 127.9704 55.7664 39.1017 173.6603 54 P 4.8239 0.0000 0.0000 62.7400 33.1931 175.4821 55 V 4.8485 8.4697 122.2825 61.5880 34.7025 173.8075 56 N 4.5814 9.1838 121.7909 52.6785 42.2216 173.4161 57 P 4.4204 0.0000 0.0000 64.7798 31.7410 177.8497 58 K 3.8983 8.3040 119.2192 58.0936 32.2458 176.2820 59 Y 4.9552 7.5818 114.7652 56.2347 40.7570 175.1695 60 E 4.4841 8.6791 120.0133 56.8520 31.2585 175.7950 61 E 5.0110 7.8089 118.1361 54.6883 32.8177 174.1178 62 V 4.1666 8.4014 124.9858 62.2081 34.3394 175.0867 63 L 3.6294 9.5366 126.5850 55.9146 39.0619 175.5730 64 G 3.9025 8.4523 104.0534 45.5785 0.0000 174.0888 65 R 4.6148 7.6521 119.0684 53.5459 32.4013 175.6862 66 K 4.3286 8.5616 121.2500 56.9370 32.7960 175.6333 67 C 5.0193 8.5652 124.4324 57.9372 33.5489 172.5795 68 Y 4.8457 9.0359 123.4275 55.7118 40.3694 174.9119 69 P 4.5570 0.0000 0.0000 64.0907 32.5727 175.7679 70 S 4.8001 7.5966 112.3377 57.1858 65.3186 175.1027 71 V 3.6998 9.5798 125.0790 65.7612 31.4282 178.3281 72 L 4.0960 7.8788 118.7751 57.0275 41.5094 177.4376 73 D 4.6083 7.6200 116.3131 54.6675 41.1524 176.5089 74 I 2.7575 7.0339 121.6418 60.0243 37.8236 175.0103 75 P 4.4596 0.0000 0.0000 61.0762 30.7531 173.7874 76 D 4.3795 6.7591 115.6059 53.8990 44.3659 174.3276 77 K 4.2285 8.3071 120.9267 56.5845 33.6013 176.2394 78 I 4.5326 7.9328 119.9618 60.0005 40.5941 175.5601 79 E 4.2002 9.3626 125.3421 57.0759 32.0321 176.2367 80 V 4.7819 7.6108 118.7096 60.9314 34.9394 174.4015 81 V 4.5310 8.6805 128.2769 61.6400 33.0586 173.8391 82 D 5.1527 9.1179 129.4021 52.7042 42.5972 174.8004 83 L 4.7155 8.7075 127.3543 52.7398 43.1026 177.3732 84 F 4.8240 9.1312 125.4839 57.0474 38.8916 175.0037 85 V 4.5923 7.5672 109.7076 59.0216 36.1471 176.2658 86 K 4.2499 8.4570 120.3099 55.9385 32.9188 176.4000 87 P 4.5760 0.0000 0.0000 65.3753 31.1046 179.1569 88 K 4.1366 8.0733 115.6635 58.7607 32.1662 178.9275 89 L 4.1235 8.3049 119.7377 57.1465 41.6422 178.9148 90 T 4.3102 8.1056 109.7091 64.2442 68.7058 176.3543 91 M 4.0664 7.6969 121.5590 58.6763 32.1707 177.8544 92 E 3.8475 8.0679 118.2803 59.7060 29.6380 178.8422 93 Y 4.0302 7.5372 115.3594 60.7095 37.8099 178.4691 94 V 3.6737 8.0837 119.6493 65.7369 31.6000 177.9624 95 E 3.9384 8.3756 118.5569 59.4894 29.2734 179.2949 96 Q 3.9383 8.3155 118.0082 58.8791 28.7999 178.5289 97 A 3.9807 8.4003 122.1641 55.3699 18.4648 179.7931 98 I 3.6275 7.9721 118.1184 64.6382 37.0400 178.9578 99 K 4.0091 7.7780 117.7006 59.0397 31.8957 178.7862 100 K 4.1680 8.0439 118.7506 57.0126 32.1746 177.5271 101 G 3.7753 7.6326 105.8591 45.6135 0.0000 173.3608 102 A 4.5533 7.5585 120.3895 51.5732 18.6993 178.4242 103 K 4.2502 8.5564 117.8570 57.1830 34.3529 177.1736 104 V 4.8429 7.3900 118.5118 60.9732 35.4185 174.1557 105 V 4.6351 8.9406 127.3987 60.7738 34.0048 173.8805 106 W 4.9350 9.0506 135.0000 55.6229 33.0846 174.2098 107 F 4.8087 9.1940 128.1015 56.7665 39.6998 176.3628 108 Q 4.8100 8.2070 122.7064 54.3697 30.5817 175.2680 109 Y 4.3893 7.8575 117.6606 59.9914 38.1792 176.2706 110 N 4.4167 9.1561 119.5913 54.3951 35.9908 174.8761 111 T 4.5832 7.6910 107.6437 61.3711 70.1954 173.6565 112 Y 3.3665 8.0691 124.0025 57.6308 39.3876 175.0565 113 N 4.5184 6.6238 123.4607 50.7615 42.2564 174.9619 114 R 3.5288 8.0580 126.9904 59.1542 30.3353 178.4263 115 E 3.8490 8.0162 118.2142 59.2904 29.6851 178.4498 116 A 4.0100 7.8679 120.1339 55.3594 18.4768 179.1244 117 S 4.2646 8.1479 111.7729 61.5660 62.2504 176.4732 118 K 3.9442 8.1024 122.0844 59.5478 32.1165 178.9728 119 K 3.9651 8.1350 118.5804 59.4165 31.9203 179.2171 120 A 4.0303 8.1706 121.1146 55.0495 18.2597 179.2444 121 D 4.2678 8.3703 116.6406 57.6631 41.1652 178.1872 122 E 3.9504 8.3484 117.9253 59.3683 29.5652 178.6922 123 A 4.2924 7.8174 118.3119 52.7857 18.8343 178.2128 124 G 3.9421 8.0373 105.6389 44.7914 0.0000 173.8097 125 L 4.4860 7.6032 119.0070 54.0774 42.9004 176.8051 126 I 4.1055 8.5856 122.7635 61.3031 38.4634 175.0236 127 I 4.9681 8.3942 126.9134 59.5467 39.4634 174.9122 128 V 4.3757 8.7971 127.1617 60.9642 33.6113 174.2712 129 A 5.0651 8.7924 128.5217 50.4440 22.5522 174.7397 130 N 4.2998 8.3841 114.5428 54.4914 38.1460 174.0291 131 R 4.9965 7.6512 112.4950 53.8428 34.8821 173.5522 132 C 5.1377 8.2498 119.5110 57.0630 34.6474 174.5386 133 M 3.3550 7.9195 126.7974 58.1979 31.3830 178.7081 134 M 3.5008 7.5605 117.8101 58.5895 32.4117 178.3278 135 R 4.0241 7.7176 117.6062 59.4022 30.2354 178.8244 136 E 4.0689 8.6723 118.7664 59.5341 29.4417 178.8879 137 H 4.1853 8.5018 118.4340 59.3742 29.9570 177.1558 138 E 4.0791 8.4991 120.6717 59.5740 29.0882 179.4363 139 R 4.0368 8.2750 117.8798 58.7183 30.2345 177.5990 140 L 4.6057 8.2302 117.0870 54.6957 42.9949 177.0628 141 L 4.6808 8.1007 115.9890 53.9351 43.1073 176.7031 142 G 4.0709 7.9890 112.5647 45.2895 0.0000 173.7033 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 M 8.30 4.46 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 E 8.08 3.99 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 3 E 8.54 4.41 0.00 1.94 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 2.27 2.22 0.00 4 T 8.12 4.04 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 R 7.96 4.71 0.00 1.75 1.73 0.00 3.43 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 6 P 0.00 4.27 0.00 2.12 1.91 0.00 3.57 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 2.09 2.06 0.00 7 I 8.17 3.76 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.66 0.00 0.00 8 D 7.92 4.37 0.00 2.92 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 9 G 7.91 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 0.00 0.00 0.00 10 L 7.89 4.68 0.00 1.67 1.56 0.84 0.61 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 11 T 9.10 4.37 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 12 D 8.53 4.40 0.00 2.75 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 13 E 8.10 3.98 0.00 2.08 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 2.38 2.57 0.00 14 D 8.09 4.39 0.00 2.87 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 15 I 7.77 3.81 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 1.15 0.00 0.00 16 R 8.54 3.95 0.00 2.04 2.09 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 17 E 8.41 3.96 0.00 2.24 1.93 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 2.31 2.55 0.00 18 I 8.08 3.84 2.26 0.00 0.00 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 1.87 0.82 1.36 0.00 0.00 19 L 8.33 4.37 0.00 1.78 2.02 1.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.81 4.17 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 1.18 0.00 0.00 21 R 7.87 4.31 0.00 1.56 1.72 0.00 3.18 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.98 0.00 22 Y 7.88 4.95 0.00 3.31 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 23 K 8.59 4.68 0.00 1.61 1.52 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.34 7.81 24 K 9.04 4.97 0.00 1.87 2.00 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.62 7.81 25 I 9.07 5.01 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 0.93 0.00 0.00 26 A 9.01 5.08 1.23 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 0.00 0.00 0.00 27 L 8.92 4.92 0.00 1.71 1.54 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.80 4.16 1.83 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 -0.35 0.00 0.00 0.66 0.00 0.00 29 G 9.20 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 30 A 7.56 3.97 1.26 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 0.00 0.00 31 S 7.84 4.36 0.00 3.80 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 32 P 0.00 4.23 0.00 2.00 1.77 0.00 3.03 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.22 0.00 33 K 7.94 4.10 0.00 1.82 1.77 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.40 7.81 34 P 0.00 4.62 0.00 2.01 2.10 0.00 3.70 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 35 E 8.08 4.10 0.00 2.08 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 0.00 2.27 2.33 0.00 36 R 8.04 4.13 0.00 1.89 1.84 0.00 3.32 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 37 D 8.90 4.38 0.00 2.95 2.96 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 38 A 7.72 2.58 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.06 0.00 2.83 2.90 0.00 0.00 7.13 7.92 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 40 I 7.50 3.66 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 0.89 0.00 0.00 41 V 7.79 3.55 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 1.05 0.00 0.00 1.02 0.00 0.00 42 M 7.84 3.88 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 43 K 8.14 3.85 0.00 1.97 1.97 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.42 7.81 44 Y 8.10 4.15 0.00 3.04 3.04 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 45 L 8.41 3.93 0.00 1.60 1.44 0.63 -0.34 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 46 L 8.19 4.22 0.00 1.76 1.67 0.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.16 4.07 0.00 1.85 1.77 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 2.25 2.36 0.00 48 H 7.54 4.58 0.00 3.00 3.26 0.00 5.87 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 49 G 7.87 3.82 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 0.00 0.00 0.00 50 Y 7.75 4.14 0.00 2.94 2.94 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 51 D 9.40 4.62 0.00 2.71 2.65 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 52 V 8.17 4.69 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 0.85 0.00 0.00 1.00 0.00 0.00 53 Y 9.27 4.65 0.00 3.00 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 54 P 0.00 4.82 0.00 2.14 2.16 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 55 V 8.47 4.85 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 1.11 0.00 0.00 1.07 0.00 0.00 56 N 9.18 4.58 0.00 2.93 2.84 0.00 0.00 6.76 8.00 0.00 0.00 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 P 0.00 4.42 0.00 2.10 2.14 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.43 0.00 58 K 8.30 3.90 0.00 1.43 1.36 0.00 1.45 0.00 0.00 1.03 0.00 0.00 2.64 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.96 7.81 59 Y 7.58 4.96 0.00 3.05 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 60 E 8.68 4.48 0.00 2.03 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 2.27 0.00 61 E 7.81 5.01 0.00 1.84 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 2.14 2.33 0.00 62 V 8.40 4.17 1.99 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 0.85 0.00 0.00 0.67 0.00 0.00 63 L 9.54 3.63 0.00 1.72 1.64 0.82 0.91 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 64 G 8.45 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 65 R 7.65 4.61 0.00 1.91 1.77 0.00 3.21 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 66 K 8.56 4.33 0.00 1.66 1.34 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 67 C 8.57 5.02 0.00 2.94 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 68 Y 9.04 4.85 0.00 3.08 3.01 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 0.00 0.00 0.00 69 P 0.00 4.56 0.00 2.24 2.21 0.00 4.04 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 70 S 7.60 4.80 0.00 3.89 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 71 V 9.58 3.70 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 0.87 0.00 0.00 1.06 0.00 0.00 72 L 7.88 4.10 0.00 1.69 1.70 0.90 0.89 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 73 D 7.62 4.61 0.00 2.97 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 74 I 7.03 2.76 1.54 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.23 -0.21 0.00 0.00 75 P 0.00 4.46 0.00 2.17 2.10 0.00 3.24 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 76 D 6.76 4.38 0.00 2.43 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 0.00 0.00 0.00 77 K 8.31 4.23 0.00 1.88 1.77 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.47 7.81 78 I 7.93 4.53 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.42 0.87 0.00 0.00 79 E 9.36 4.20 0.00 2.08 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 2.23 2.24 0.00 80 V 7.61 4.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.07 0.00 0.00 81 V 8.68 4.53 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 0.93 0.00 0.00 0.92 0.00 0.00 82 D 9.12 5.15 0.00 2.68 2.50 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 83 L 8.71 4.72 0.00 1.50 1.53 0.29 0.99 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 84 F 9.13 4.82 0.00 3.01 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 85 V 7.57 4.59 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 0.75 0.00 0.00 1.00 0.00 0.00 86 K 8.46 4.25 0.00 1.88 1.79 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.54 7.81 87 P 0.00 4.58 0.00 2.17 2.32 0.00 3.93 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 2.16 2.13 0.00 88 K 8.07 4.14 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 89 L 8.30 4.12 0.00 2.06 1.94 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.11 4.31 4.41 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 1.54 0.00 0.00 91 M 7.70 4.07 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 92 E 8.07 3.85 0.00 1.89 1.62 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 2.32 2.22 0.00 93 Y 7.54 4.03 0.00 3.24 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 94 V 8.08 3.67 2.33 0.00 0.00 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 0.98 0.00 0.00 95 E 8.38 3.94 0.00 2.18 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 2.45 2.47 0.00 96 Q 8.32 3.94 0.00 2.32 2.18 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 2.33 2.43 0.00 97 A 8.40 3.98 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 98 I 7.97 3.63 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 1.52 1.12 0.90 0.00 0.00 99 K 7.78 4.01 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 100 K 8.04 4.17 0.00 1.77 1.99 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 101 G 7.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.56 4.55 1.18 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 0.00 0.00 103 K 8.56 4.25 0.00 0.94 1.44 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.12 1.03 7.81 104 V 7.39 4.84 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 1.27 0.00 0.00 0.93 0.00 0.00 105 V 8.94 4.64 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 0.36 0.00 0.00 0.86 0.00 0.00 106 W 9.05 4.93 0.00 3.43 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 0.00 107 F 9.19 4.81 0.00 3.11 3.11 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 0.00 0.00 0.00 108 Q 8.21 4.81 0.00 1.56 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.98 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 109 Y 7.86 4.39 0.00 2.98 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 0.00 110 N 9.16 4.42 0.00 2.99 3.01 0.00 0.00 6.85 7.54 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 0.00 111 T 7.69 4.58 4.52 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 1.43 0.00 0.00 112 Y 8.07 3.37 0.00 2.78 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 0.00 113 N 6.62 4.52 0.00 2.85 2.49 0.00 0.00 7.22 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 0.00 114 R 8.06 3.53 0.00 1.78 1.90 0.00 3.21 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 115 E 8.02 3.85 0.00 2.02 1.89 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 2.36 2.43 0.00 116 A 7.87 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.15 4.26 0.00 3.67 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 0.00 118 K 8.10 3.94 0.00 1.98 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 119 K 8.13 3.97 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.61 7.81 120 A 8.17 4.03 1.45 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 0.00 0.00 121 D 8.37 4.27 0.00 2.97 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 0.00 122 E 8.35 3.95 0.00 2.10 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 2.36 2.52 0.00 123 A 7.82 4.29 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 0.00 124 G 8.04 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 0.00 125 L 7.60 4.49 0.00 1.57 1.75 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.59 4.11 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.95 0.00 0.00 127 I 8.39 4.97 1.96 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 1.38 0.67 1.24 0.00 0.00 128 V 8.80 4.38 1.08 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 -0.59 0.00 0.00 0.59 0.00 0.00 129 A 8.79 5.07 1.08 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 0.00 0.00 130 N 8.38 4.30 0.00 2.78 2.82 0.00 0.00 6.91 7.53 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 0.00 131 R 7.65 5.00 0.00 1.93 1.91 0.00 2.81 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 132 C 8.25 5.14 0.00 2.28 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.92 3.36 0.00 1.39 1.48 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 134 M 7.56 3.50 0.00 1.76 1.61 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 135 R 7.72 4.02 0.00 1.91 2.03 0.00 3.41 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 136 E 8.67 4.07 0.00 2.34 2.25 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 2.68 2.75 0.00 137 H 8.50 4.19 0.00 3.46 3.62 0.00 5.59 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 0.00 138 E 8.50 4.08 0.00 2.19 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 2.43 2.40 0.00 139 R 8.28 4.04 0.00 1.95 2.15 0.00 3.26 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 140 L 8.23 4.61 0.00 1.73 1.72 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.10 4.68 0.00 1.35 1.55 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.99 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 0.00 0.00 0.00