NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3904 8.2649 123.5824 51.3890 21.7733 179.3416 6 D 4.6739 8.5500 122.2797 53.9029 40.6874 173.4182 7 S 5.1141 7.8958 120.1778 58.1952 64.9221 174.1073 8 Q 4.3811 8.0794 126.2094 55.2663 31.2007 173.3598 9 I 4.4210 8.4041 126.5106 59.5042 39.1921 175.0547 10 Q 4.3370 8.6279 125.0051 55.0594 29.6413 175.5378 11 F 4.5229 8.9207 122.5665 55.9048 38.8014 176.6270 12 T 3.9532 8.4624 117.2893 64.2483 68.9066 175.5406 13 R 4.3414 7.9535 119.0710 56.8374 31.1088 177.6340 14 H 4.1620 8.6241 118.6995 59.2551 29.8653 176.8450 15 A 3.8425 7.9373 122.0375 55.2897 18.3692 179.3809 16 S 4.0166 7.9781 111.0899 61.5160 62.5055 175.9713 17 D 4.3360 8.1508 121.7408 57.1443 40.5726 178.7008 18 V 3.4761 7.9841 119.1880 65.9165 31.4983 177.5749 19 L 3.8511 7.8765 119.9144 58.2102 41.8614 178.5352 20 L 3.9429 7.6945 119.4980 58.5145 41.9019 178.8164 21 N 4.3727 8.1521 116.1712 56.2407 38.4691 177.4107 22 L 3.9423 8.4828 120.9045 57.8526 41.7156 179.1282 23 N 4.3256 9.0191 117.3816 56.6967 38.8856 177.2483 24 R 3.9406 8.1685 119.6467 59.0931 30.1458 178.8516 25 L 4.0044 8.7142 119.4523 57.8246 41.5633 179.6256 26 R 3.7959 7.9847 118.7653 59.4296 29.8120 178.7858 27 S 4.1167 7.9038 112.4859 60.7916 63.1491 175.5988 28 R 4.1917 7.5939 119.1099 55.2306 30.2980 175.4290 29 D 4.3442 7.9032 117.4089 55.2159 39.8716 173.2827 30 I 4.1675 8.2430 119.0665 60.5682 38.0211 176.4117 31 L 3.6912 8.8121 123.9995 55.5061 39.1291 174.5441 32 T 3.9071 7.5161 109.3980 62.0373 68.7269 173.6542 33 D 4.9345 8.3074 124.7833 52.3927 40.2737 175.6372 34 V 4.6979 7.3088 117.8425 60.9484 34.8755 172.7217 35 V 4.8480 8.8796 122.7635 61.3807 34.2469 174.2563 36 I 4.8180 9.0543 129.0125 59.9655 39.1590 174.6827 37 V 4.7380 9.2103 128.6656 61.5443 33.1568 174.6690 38 V 4.5970 8.9506 128.6246 61.3077 34.1691 176.4475 39 S 3.8910 9.0523 125.0638 60.2360 62.1684 173.2888 40 R 4.5676 9.0165 125.1830 56.7949 30.4458 174.7866 41 E 4.6036 8.4980 118.8572 55.0796 31.8851 174.9565 42 Q 5.1371 8.0513 120.2623 54.2204 32.0424 175.1720 43 F 4.8569 9.1098 120.9603 56.0577 42.9612 174.1711 44 R 5.0374 8.7485 122.3009 55.4471 32.0848 175.1701 45 A 4.4509 8.3913 122.0670 52.1457 23.8564 174.5727 46 H 4.9876 9.3318 116.3629 54.3409 30.2230 176.7050 47 K 3.5319 9.0270 125.1662 59.9672 31.5887 179.4985 48 T 3.8975 7.6751 108.2259 64.4327 69.1446 176.5794 49 V 3.5749 7.7876 121.4079 65.5905 31.6089 177.7274 50 L 3.9910 7.8561 118.2995 58.4701 41.3145 179.5006 51 M 4.5177 8.2982 116.3846 57.8596 31.9650 178.0242 52 A 4.2912 7.7934 119.5924 53.5567 19.0252 177.6082 53 C 4.5291 7.9390 113.0608 60.0600 30.1805 174.0550 54 S 4.6289 8.2398 113.9821 55.4139 64.8969 174.8391 55 G 3.6485 8.8487 114.7534 47.5715 0.0000 175.1493 56 L 3.7896 7.4313 121.3226 58.1987 42.0627 179.1887 57 F 4.2545 7.8694 117.6653 60.3898 38.4559 177.0678 58 Y 4.1971 8.4439 119.5080 61.0229 38.3400 178.6106 59 S 4.0961 8.0140 114.8381 61.3875 63.2239 176.3364 60 I 3.6384 7.8048 122.8370 64.3889 36.7061 177.8896 61 F 4.7096 7.5298 114.7756 58.4391 39.1347 176.5950 62 T 4.3571 7.0583 110.7936 60.6718 67.9069 173.2229 63 D 4.5441 7.5345 121.7072 53.8203 41.6033 176.7841 64 Q 4.0726 8.7840 125.4121 59.2180 28.4877 177.5707 65 L 4.2990 8.0649 116.3348 55.6629 42.0228 177.2407 66 K 4.6014 8.6260 116.9581 55.4254 34.2350 177.9420 67 R 4.1721 8.3397 118.6999 59.1095 29.8388 176.4796 68 N 4.9355 8.0149 111.5957 52.7669 39.0050 174.5165 69 L 4.3670 7.7463 119.2082 54.7515 42.3685 176.9523 70 S 4.7962 8.6618 114.7299 58.0269 65.1229 173.3185 71 V 4.9075 7.7720 120.2037 61.3030 34.3245 174.2456 72 I 4.5830 8.9847 128.7478 59.6016 39.9359 174.2871 73 N 5.0980 8.8092 125.1718 52.3311 39.1165 175.2761 74 L 4.3952 9.0458 124.9609 53.9335 43.0576 176.4801 75 D 4.2133 8.8148 119.9439 53.9525 41.3886 176.5560 76 P 4.2705 0.0000 0.0000 65.0746 31.5983 177.3096 77 E 3.9872 8.4804 119.0450 58.6359 29.7293 177.3847 78 I 3.7858 7.4732 119.6127 60.9057 37.9218 175.0958 79 N 4.8809 8.4074 121.6821 51.3406 41.0483 173.7341 80 P 4.4562 0.0000 0.0000 66.0421 31.6411 178.1533 81 E 4.1968 8.4722 117.5271 59.4909 29.5071 178.9900 82 G 3.6391 8.4514 105.6841 47.4130 0.0000 175.6724 83 F 4.1058 8.3647 123.0104 61.0642 39.3543 176.6702 84 N 3.9545 8.5431 117.0302 56.6208 38.7321 176.8034 85 I 3.6614 7.6156 121.0215 64.4499 37.1545 178.4505 86 L 4.0241 7.5661 119.5751 57.4896 41.4007 179.1536 87 L 3.7963 7.6886 120.5850 58.4476 41.8476 178.7136 88 D 4.4406 8.1983 118.7410 57.4832 40.6701 178.7776 89 F 4.4136 8.3145 122.3546 60.9837 39.1619 176.9729 90 M 3.6740 7.9923 117.4847 58.3376 31.9201 177.6241 91 Y 4.3714 7.8081 113.5576 58.5833 38.5495 176.1159 92 T 4.4879 7.1714 107.3547 60.0961 70.4575 175.2345 93 S 3.8064 8.2834 117.0013 58.3526 61.4853 169.1688 94 R 4.5227 7.9987 120.8185 54.2624 31.0644 174.8768 95 L 4.3171 8.5710 125.8434 53.7085 42.2761 175.9583 96 N 4.6439 8.5085 125.1040 51.9031 37.7532 173.9926 97 L 4.5625 7.8423 122.5579 53.2880 43.3318 176.9576 98 R 4.8029 8.9160 120.9540 53.4540 33.8300 176.9577 99 E 4.1104 8.7243 118.5125 59.7795 29.2407 179.5387 100 G 3.9458 8.0996 104.0789 47.7237 0.0000 174.2050 101 N 4.8004 7.5244 114.7593 52.6931 38.2978 176.3987 102 I 3.5804 7.4990 121.8926 64.7198 37.8784 177.4818 103 M 4.0576 8.0004 118.6237 58.3338 31.8804 178.3983 104 A 4.0029 7.9338 120.4743 54.9942 18.5215 179.6481 105 V 3.4909 7.9737 116.9292 66.4841 31.6356 178.0592 106 M 3.9708 8.1652 117.6531 58.2873 31.9806 178.1277 107 A 3.9905 8.0330 121.2022 55.3896 18.5990 179.5981 108 T 3.9072 8.3433 114.5181 66.9345 68.5095 176.5669 109 A 4.1091 8.2845 122.7237 55.3157 18.2953 179.4556 110 M 3.9315 7.8677 116.2895 58.7639 32.1705 177.5730 111 Y 4.2265 7.9654 118.6180 60.9559 39.0208 177.9428 112 L 3.7941 8.5467 118.1631 54.6263 42.2377 176.6011 113 Q 3.4249 7.8005 117.0658 57.9091 26.6303 175.3532 114 M 4.7066 8.3626 118.0212 53.0355 32.4339 176.9227 115 E 3.9719 8.3911 122.7105 59.4941 30.0955 178.1493 116 H 4.1287 8.3108 114.5840 58.6604 28.1603 177.5896 117 V 3.4104 6.9852 119.8904 65.3344 31.5712 177.9121 118 V 3.6391 7.4933 117.6683 66.0386 31.4137 177.1917 119 D 4.4175 8.2837 118.7330 58.1656 40.5757 179.5376 120 T 3.8916 7.6468 114.2555 66.6613 68.4907 176.2441 121 C 4.3169 8.0550 118.9396 62.7393 28.0350 175.8293 122 R 4.0758 7.9841 119.3600 59.0938 29.5298 178.6690 123 K 4.0992 8.2258 115.2120 57.7922 32.3870 177.1650 124 F 4.7178 9.1086 124.0328 59.0141 41.7477 176.4475 125 I 4.0071 7.3752 122.5870 61.3397 35.9115 176.0186 126 K 4.2420 7.5144 119.9474 58.1641 34.3693 179.6640 127 A 4.2033 6.8938 119.9232 50.8014 16.8213 177.3350 128 S 4.1644 7.4156 120.4526 59.3562 62.3204 174.8495 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 5 A 8.26 4.39 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.67 0.00 2.76 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 7 S 7.90 5.11 0.00 3.96 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 8 Q 8.08 4.38 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 9 I 8.40 4.42 2.06 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 1.39 0.80 0.61 0.00 0.00 10 Q 8.63 4.34 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 11 F 8.92 4.52 0.00 3.06 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 12 T 8.46 3.95 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 1.20 0.00 0.00 13 R 7.95 4.34 0.00 1.94 2.15 0.00 3.31 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 14 H 8.62 4.16 0.00 3.32 3.49 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 15 A 7.94 3.84 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 16 S 7.98 4.02 0.00 3.89 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 17 D 8.15 4.34 0.00 2.92 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 18 V 7.98 3.48 2.09 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 0.85 0.00 0.00 0.70 0.00 0.00 19 L 7.88 3.85 0.00 1.85 1.74 0.78 0.30 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 20 L 7.69 3.94 0.00 1.98 1.87 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.15 4.37 0.00 2.92 2.84 0.00 0.00 7.08 6.76 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 22 L 8.48 3.94 0.00 1.87 1.86 0.84 0.50 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 23 N 9.02 4.33 0.00 3.15 2.98 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 24 R 8.17 3.94 0.00 1.86 1.95 0.00 3.35 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 25 L 8.71 4.00 0.00 1.84 1.94 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.98 3.80 0.00 1.53 1.65 0.00 2.82 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 27 S 7.90 4.12 0.00 4.03 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 28 R 7.59 4.19 0.00 1.79 1.99 0.00 3.30 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 29 D 7.90 4.34 0.00 2.76 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 30 I 8.24 4.17 1.89 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 1.30 1.00 0.92 0.00 0.00 31 L 8.81 3.69 0.00 1.83 1.79 0.92 0.94 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 32 T 7.52 3.91 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 0.97 0.00 0.00 33 D 8.31 4.93 0.00 2.63 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 34 V 7.31 4.70 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 0.60 0.00 0.00 1.06 0.00 0.00 35 V 8.88 4.85 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 1.12 0.00 0.00 0.99 0.00 0.00 36 I 9.05 4.82 2.03 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 1.40 1.14 0.67 0.00 0.00 37 V 9.21 4.74 2.28 0.00 0.00 0.00 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 0.97 0.00 0.00 38 V 8.95 4.60 2.39 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 1.03 0.00 0.00 0.70 0.00 0.00 39 S 9.05 3.89 0.00 4.07 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 40 R 9.02 4.57 0.00 1.77 1.90 0.00 3.19 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 41 E 8.50 4.60 0.00 2.08 1.52 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 2.20 2.29 0.00 42 Q 8.05 5.14 0.00 1.76 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 43 F 9.11 4.86 0.00 3.26 3.09 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 44 R 8.75 5.04 0.00 1.67 1.82 0.00 3.23 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 45 A 8.39 4.45 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.33 4.99 0.00 3.26 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.03 3.53 0.00 1.44 1.19 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 1.21 7.81 48 T 7.68 3.90 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 49 V 7.79 3.57 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 0.13 0.00 0.00 0.72 0.00 0.00 50 L 7.86 3.99 0.00 1.87 1.51 0.26 0.93 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 51 M 8.30 4.52 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.13 3.10 0.00 52 A 7.79 4.29 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 53 C 7.94 4.53 0.00 3.15 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 54 S 8.24 4.63 0.00 4.00 4.18 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 55 G 8.85 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 56 L 7.43 3.79 0.00 1.42 1.20 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.87 4.25 0.00 3.24 3.22 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 58 Y 8.44 4.20 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 59 S 8.01 4.10 0.00 4.06 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 60 I 7.80 3.64 1.36 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.26 0.00 0.00 61 F 7.53 4.71 0.00 3.03 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 62 T 7.06 4.36 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 0.90 0.00 0.00 63 D 7.53 4.54 0.00 2.80 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 64 Q 8.78 4.07 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 65 L 8.06 4.30 0.00 1.67 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.63 4.60 0.00 1.89 1.73 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.44 7.81 67 R 8.34 4.17 0.00 1.80 2.02 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 68 N 8.01 4.94 0.00 2.76 2.81 0.00 0.00 6.94 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 69 L 7.75 4.37 0.00 1.99 1.73 0.96 0.87 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 70 S 8.66 4.80 0.00 3.87 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 71 V 7.77 4.91 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 0.88 0.00 0.00 0.96 0.00 0.00 72 I 8.98 4.58 2.07 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 1.47 1.31 1.03 0.00 0.00 73 N 8.81 5.10 0.00 2.62 2.78 0.00 0.00 7.20 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 74 L 9.05 4.40 0.00 1.42 1.58 0.56 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.81 4.21 0.00 2.52 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 0.00 0.00 0.00 76 P 0.00 4.27 0.00 2.04 2.08 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 77 E 8.48 3.99 0.00 1.85 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 2.25 2.24 0.00 78 I 7.47 3.79 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.12 0.91 0.00 0.00 79 N 8.41 4.88 0.00 2.74 2.68 0.00 0.00 7.12 7.71 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 80 P 0.00 4.46 0.00 2.39 2.46 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 81 E 8.47 4.20 0.00 2.09 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 0.00 2.41 2.44 0.00 82 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.11 0.00 3.12 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 84 N 8.54 3.95 0.00 3.00 3.00 0.00 0.00 7.26 7.77 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 85 I 7.62 3.66 1.83 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 1.51 0.83 0.92 0.00 0.00 86 L 7.57 4.02 0.00 1.68 1.70 0.97 0.45 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 87 L 7.69 3.80 0.00 0.99 1.52 1.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.20 4.44 0.00 2.78 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 89 F 8.31 4.41 0.00 3.11 3.31 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 90 M 7.99 3.67 0.00 1.79 2.31 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.60 0.00 91 Y 7.81 4.37 0.00 2.91 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 92 T 7.17 4.49 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 1.32 0.00 0.00 93 S 8.28 3.81 0.00 4.01 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 94 R 8.00 4.52 0.00 1.93 1.89 0.00 3.13 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 95 L 8.57 4.32 0.00 1.29 1.42 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.51 4.64 0.00 2.72 2.76 0.00 0.00 7.13 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 97 L 7.84 4.56 0.00 1.09 1.17 -0.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.92 4.80 0.00 1.74 1.82 0.00 3.32 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 99 E 8.72 4.11 0.00 2.04 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 2.46 2.43 0.00 100 G 8.10 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 0.00 101 N 7.52 4.80 0.00 2.97 3.06 0.00 0.00 6.68 7.57 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 0.00 102 I 7.50 3.58 2.07 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 1.63 1.21 1.07 0.00 0.00 103 M 8.00 4.06 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 104 A 7.93 4.00 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 0.00 105 V 7.97 3.49 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 0.95 0.00 0.00 0.98 0.00 0.00 106 M 8.17 3.97 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 107 A 8.03 3.99 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 0.00 108 T 8.34 3.91 4.42 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 1.46 0.00 0.00 109 A 8.28 4.11 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 0.00 110 M 7.87 3.93 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 111 Y 7.97 4.23 0.00 2.86 3.21 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 0.00 112 L 8.55 3.79 0.00 1.73 1.71 1.20 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.80 3.42 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.12 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 114 M 8.36 4.71 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.76 0.00 115 E 8.39 3.97 0.00 2.00 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 2.41 2.32 0.00 116 H 8.31 4.13 0.00 3.37 3.59 0.00 5.45 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 6.99 3.41 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 0.51 0.00 0.00 0.42 0.00 0.00 118 V 7.49 3.64 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 1.01 0.00 0.00 1.01 0.00 0.00 119 D 8.28 4.42 0.00 2.84 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 0.00 120 T 7.65 3.89 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 1.12 0.00 0.00 121 C 8.05 4.32 0.00 3.22 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 0.00 122 R 7.98 4.08 0.00 2.03 1.96 0.00 3.15 0.00 0.00 3.34 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 123 K 8.23 4.10 0.00 1.81 1.90 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.60 7.81 124 F 9.11 4.72 0.00 3.09 3.23 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 0.00 125 I 7.38 4.01 1.99 0.00 0.00 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 1.37 0.96 0.90 0.00 0.00 126 K 7.51 4.24 0.00 1.61 1.76 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 127 A 6.89 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.42 4.16 0.00 3.67 3.59 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