NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3463 8.1933 115.4057 58.5026 65.4745 172.8985 2 H 4.1948 7.6584 121.2361 55.6187 28.9500 173.5210 3 G 4.0128 8.9242 114.3787 45.2311 0.0000 172.8733 4 S 4.2995 7.1312 113.7229 57.8793 63.2288 173.3246 5 H 5.0628 8.4574 122.1545 53.6012 32.0641 172.9657 6 E 4.7461 8.4810 120.5096 55.1867 31.6110 175.8399 7 T 4.3768 8.5204 111.4872 60.9656 71.1923 175.5446 8 D 4.4216 8.5952 121.1377 57.9808 40.8435 178.9130 9 E 4.0345 8.3667 118.1571 59.7664 29.4342 179.4157 10 E 3.9678 7.9266 117.0791 59.2128 29.6835 178.8440 11 F 4.3433 8.1764 122.0359 60.8069 39.4204 176.8430 12 D 4.5218 8.7734 118.2961 57.4641 40.6761 178.3031 13 A 3.9714 8.1197 121.1355 55.6178 18.4896 179.3553 14 R 3.6604 8.3752 116.8849 59.5956 29.8617 178.6135 15 W 3.9307 7.6419 117.8258 59.2253 29.2131 178.7557 16 V 3.8107 8.4108 118.6380 66.4486 30.8008 177.9832 17 T 3.8689 8.0359 114.3727 66.8785 68.4223 175.3198 18 Y 4.0314 7.7077 120.7659 61.0254 38.5558 178.5036 19 F 4.5722 8.3452 116.4806 59.9770 39.1367 176.7539 20 N 4.8043 8.0528 114.7798 52.9806 38.9257 174.6806 21 K 3.7222 7.3677 122.6948 55.9914 32.4528 174.8538 22 P 4.2678 0.0000 0.0000 65.9086 30.9050 176.8569 23 D 4.7868 7.7983 116.0956 52.7347 39.8713 175.9628 24 I 3.9303 7.4201 120.3799 61.8688 38.5767 175.6588 25 D 4.8859 8.6639 127.2437 51.6046 42.7028 177.2893 26 A 4.0701 8.5218 120.6447 55.1730 18.1537 179.3157 27 W 4.1852 8.4319 126.1031 61.0565 30.7828 177.9187 28 E 4.3244 9.3762 118.6367 59.2675 28.9784 179.3319 29 L 4.3064 8.1238 120.6322 58.2231 42.2189 179.2752 30 R 3.8849 8.3579 118.3138 59.1837 29.9946 178.4488 31 K 3.5466 8.3396 119.7687 59.5727 31.9247 178.3660 32 G 3.9331 8.5187 105.6481 48.4208 0.0000 175.2891 33 M 4.0667 8.1955 121.0046 58.1766 31.8815 178.5794 34 N 4.2408 8.2922 115.3900 56.5916 38.8700 177.3564 35 T 3.9101 8.1103 117.3971 66.3287 68.6292 176.7026 36 L 3.7024 7.6304 122.3147 58.0881 41.7218 178.9542 37 V 3.7703 7.5481 116.7258 64.7698 31.5532 177.4638 38 G 3.5658 7.4993 103.9012 45.7390 0.0000 173.3798 39 Y 4.6709 6.6141 118.5842 57.4825 39.1492 175.8378 40 D 4.6605 8.1940 122.4072 50.7587 39.6482 175.0762 41 L 4.4297 7.0896 121.2665 55.0396 42.4494 174.3409 42 V 4.1890 8.2343 120.0154 60.5483 32.5621 174.1187 43 P 4.4519 0.0000 0.0000 62.4719 31.9881 176.1073 44 E 4.2112 8.7960 121.0723 56.0131 30.4000 176.1586 45 P 4.2669 0.0000 0.0000 65.9599 30.9907 179.1006 46 K 4.2011 8.1602 116.6469 59.9010 32.4301 179.1105 47 I 3.9914 8.1643 121.5861 64.2608 37.1401 178.1419 48 I 3.6195 7.7744 120.2044 64.4102 36.8782 177.4154 49 D 4.2510 8.6218 118.9815 57.4646 41.0239 177.9579 50 A 4.0767 7.8979 120.2891 55.5800 18.3754 179.5310 51 A 3.4997 7.7012 118.6123 54.9116 18.3759 179.9160 52 L 3.8941 7.9267 117.7843 57.9260 41.6760 179.9473 53 R 3.9445 8.4979 118.3480 59.1146 29.9935 178.8635 54 A 4.0590 8.2364 120.7242 55.3608 18.2519 179.3620 55 C 4.0514 8.0483 115.2411 62.9550 28.0959 176.3559 56 R 3.9027 7.7749 119.6567 59.6137 29.4998 178.6357 57 R 3.9631 7.8960 116.5111 59.0159 30.1032 178.0058 58 L 4.4196 7.7424 115.8015 53.2799 42.6660 176.3966 59 N 4.1285 8.0946 115.8969 54.8185 36.5011 175.5671 60 D 4.7744 8.2760 116.4296 52.0575 42.7372 175.5738 61 F 4.2958 8.8826 128.1903 61.1122 39.6363 176.3017 62 A 3.8504 8.2377 119.9475 55.6511 18.0372 179.6389 63 S 3.9814 8.3707 113.0471 61.5861 62.5551 176.8378 64 A 3.8398 7.6905 123.5917 54.9221 18.1509 179.9397 65 V 3.3891 7.0505 116.2447 66.1275 31.7380 178.1713 66 R 4.4972 7.9503 119.8365 58.8432 29.8986 178.4951 67 I 3.6398 7.8576 120.0018 64.3319 37.0870 178.3637 68 L 4.0919 7.5583 118.4452 57.6546 41.5425 179.3258 69 E 3.8249 8.0061 118.1777 59.3492 29.3285 179.4798 70 V 3.5017 7.6684 118.1535 66.0202 31.3427 177.9244 71 V 3.5732 7.3820 116.4103 66.0958 31.6443 177.6570 72 K 3.8277 7.6671 118.5604 59.4167 31.9745 178.2352 73 D 4.2611 8.0123 118.3245 57.4026 40.8821 178.4660 74 K 4.0283 8.1750 117.9291 59.0114 32.2360 178.6621 75 A 4.2028 7.9996 120.0201 52.0737 18.4618 178.8324 76 G 3.8761 8.1319 106.5295 46.2526 0.0000 173.3071 77 P 4.4512 0.0000 0.0000 63.6475 31.6666 176.9354 78 H 4.9388 8.0248 119.1023 53.0999 27.1610 175.4120 79 K 3.9232 8.2974 121.7933 59.8032 32.4657 179.0444 80 E 4.1870 8.1802 117.1585 58.6753 29.3330 179.3245 81 I 3.7490 7.8898 120.6650 64.4202 37.1359 177.3515 82 Y 4.3370 8.1403 119.8166 60.6302 38.5730 176.2238 83 P 4.0148 0.0000 0.0000 65.7551 31.4188 177.9405 84 Y 3.9904 7.6762 117.8496 60.5406 38.7089 178.1630 85 V 3.3632 7.7647 119.0091 66.1637 31.7242 177.7650 86 I 3.4684 7.5651 119.6611 64.4746 36.6619 178.0226 87 Q 3.7968 7.8059 119.3399 59.3826 29.0149 178.2531 88 E 3.9568 7.5491 117.2215 58.1827 29.7943 178.1933 89 L 4.3551 7.5804 117.9603 54.7709 42.1270 178.3764 90 R 3.8471 7.5099 119.5182 59.1815 30.0657 176.3221 91 P 4.2053 0.0000 0.0000 66.3089 31.2736 178.5657 92 T 3.9170 7.8489 113.4756 66.6646 68.3516 176.4023 93 L 3.9808 8.3570 121.1524 57.9567 41.5466 179.4798 94 N 4.3045 8.2724 116.1967 56.1934 38.3180 176.9335 95 E 3.9207 8.2951 119.7144 59.5275 29.8673 178.6119 96 L 4.3034 8.1844 116.4452 54.9332 41.9178 177.4055 97 G 3.8462 7.6508 106.7741 46.4053 0.0000 173.4527 98 I 4.3999 7.9222 121.0446 60.3283 37.8113 176.0278 99 S 4.8435 8.8618 121.9549 57.5418 64.2624 174.9226 100 T 4.2126 8.3202 114.9214 60.9866 70.6600 174.1614 101 P 4.2639 0.0000 0.0000 65.8031 31.3683 178.9445 102 E 4.1620 8.2018 117.1235 59.4473 29.2534 178.9990 103 E 4.0151 7.9639 117.6328 59.3730 29.6915 178.9935 104 L 4.2881 8.0559 116.8825 55.2931 41.9014 178.0681 105 G 3.9261 7.9249 107.5467 46.0837 0.0000 175.1877 106 L 4.3097 8.0898 119.1900 55.8231 41.7785 177.3957 107 D 4.6687 8.0059 117.5065 53.1028 39.7966 175.9379 108 K 4.7121 7.4357 117.3539 55.3073 35.2289 176.5813 109 V 4.0114 8.0965 112.1933 61.7278 32.3466 175.6963 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 S 8.19 4.35 0.00 3.89 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 2 H 7.66 4.19 0.00 3.26 3.28 0.00 5.71 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 3 G 8.92 4.01 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 0.00 0.00 0.00 4 S 7.13 4.30 0.00 4.09 3.87 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 0.00 0.00 0.00 5 H 8.46 5.06 0.00 3.13 3.18 0.00 5.69 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 6 E 8.48 4.75 0.00 2.31 2.10 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 2.39 2.41 0.00 7 T 8.52 4.38 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 1.30 0.00 0.00 8 D 8.60 4.42 0.00 2.73 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 9 E 8.37 4.03 0.00 2.09 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 2.44 2.52 0.00 10 E 7.93 3.97 0.00 2.29 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 2.35 2.35 0.00 11 F 8.18 4.34 0.00 3.18 3.36 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 12 D 8.77 4.52 0.00 2.99 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 13 A 8.12 3.97 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 14 R 8.38 3.66 0.00 1.69 1.80 0.00 2.78 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.32 0.00 15 W 7.64 3.93 0.00 3.51 3.28 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 16 V 8.41 3.81 2.29 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 1.12 0.00 0.00 1.18 0.00 0.00 17 T 8.04 3.87 4.33 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 0.00 0.00 0.00 1.17 0.00 0.00 18 Y 7.71 4.03 0.00 2.75 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 19 F 8.35 4.57 0.00 3.30 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 20 N 8.05 4.80 0.00 2.86 2.90 0.00 0.00 6.89 7.30 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 21 K 7.37 3.72 0.00 1.63 1.67 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 22 P 0.00 4.27 0.00 2.21 2.19 0.00 3.78 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 1.98 1.97 0.00 23 D 7.80 4.79 0.00 2.79 2.78 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 24 I 7.42 3.93 1.93 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 1.41 0.95 1.03 0.00 0.00 25 D 8.66 4.89 0.00 3.09 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 26 A 8.52 4.07 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 27 W 8.43 4.19 0.00 3.38 3.41 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 0.00 28 E 9.38 4.32 0.00 2.25 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 2.75 2.88 0.00 29 L 8.12 4.31 0.00 2.00 2.01 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.36 3.88 0.00 1.95 1.85 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 31 K 8.34 3.55 0.00 0.84 1.79 0.00 1.19 0.00 0.00 1.03 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.39 7.81 32 G 8.52 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 0.00 0.00 0.00 33 M 8.20 4.07 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 34 N 8.29 4.24 0.00 2.74 2.80 0.00 0.00 7.18 7.51 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 35 T 8.11 3.91 4.38 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 1.26 0.00 0.00 36 L 7.63 3.70 0.00 1.39 1.54 -0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.55 3.77 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 0.79 0.00 0.00 0.85 0.00 0.00 38 G 7.50 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 39 Y 6.61 4.67 0.00 3.07 2.78 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 40 D 8.19 4.66 0.00 2.63 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 41 L 7.09 4.43 0.00 1.73 1.54 1.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.23 4.19 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 0.94 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.45 0.00 2.10 2.01 0.00 3.76 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 2.01 2.13 0.00 44 E 8.80 4.21 0.00 2.11 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 2.50 2.56 0.00 45 P 0.00 4.27 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 46 K 8.16 4.20 0.00 2.04 2.12 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.63 7.81 47 I 8.16 3.99 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.27 1.17 0.00 0.00 48 I 7.77 3.62 2.00 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 1.78 0.87 0.86 0.00 0.00 49 D 8.62 4.25 0.00 2.80 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 50 A 7.90 4.08 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 0.00 0.00 0.00 0.00 0.00 51 A 7.70 3.50 0.57 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 52 L 7.93 3.89 0.00 1.82 1.68 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.50 3.94 0.00 1.96 1.99 0.00 3.34 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 54 A 8.24 4.06 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 55 C 8.05 4.05 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 56 R 7.77 3.90 0.00 1.96 2.18 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 R 7.90 3.96 0.00 2.05 2.02 0.00 3.23 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 1.69 1.71 0.00 58 L 7.74 4.42 0.00 1.67 1.72 1.01 1.24 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 59 N 8.09 4.13 0.00 2.82 2.86 0.00 0.00 6.59 8.86 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 60 D 8.28 4.77 0.00 2.60 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 61 F 8.88 4.30 0.00 3.16 3.06 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 0.00 0.00 0.00 62 A 8.24 3.85 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 63 S 8.37 3.98 0.00 3.90 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 64 A 7.69 3.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.05 3.39 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 0.95 0.00 0.00 0.38 0.00 0.00 66 R 7.95 4.50 0.00 1.85 1.84 0.00 3.16 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 67 I 7.86 3.64 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.80 0.00 0.00 68 L 7.56 4.09 0.00 1.92 1.86 0.91 0.91 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 69 E 8.01 3.82 0.00 2.17 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 0.00 2.27 2.46 0.00 70 V 7.67 3.50 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 1.08 0.00 0.00 0.87 0.00 0.00 71 V 7.38 3.57 2.41 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 1.01 0.00 0.00 1.04 0.00 0.00 72 K 7.67 3.83 0.00 0.79 1.50 0.00 0.80 0.00 0.00 1.20 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.88 7.81 73 D 8.01 4.26 0.00 2.75 2.72 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 74 K 8.18 4.03 0.00 1.96 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 75 A 8.00 4.20 1.47 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 0.00 0.00 0.00 76 G 8.13 3.88 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 0.00 0.00 0.00 77 P 0.00 4.45 0.00 2.11 2.10 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 78 H 8.02 4.94 0.00 3.39 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.30 3.92 0.00 1.76 1.94 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 80 E 8.18 4.19 0.00 2.06 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 2.40 2.48 0.00 81 I 7.89 3.75 1.96 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 1.41 1.06 1.01 0.00 0.00 82 Y 8.14 4.34 0.00 2.99 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 83 P 0.00 4.01 0.00 2.23 2.09 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 84 Y 7.68 3.99 0.00 3.20 3.14 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 0.00 0.00 0.00 85 V 7.76 3.36 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 0.97 0.00 0.00 1.17 0.00 0.00 86 I 7.57 3.47 1.63 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 0.47 0.03 0.73 0.00 0.00 87 Q 7.81 3.80 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 88 E 7.55 3.96 0.00 1.82 1.81 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 1.63 1.76 0.00 89 L 7.58 4.36 0.00 1.74 1.62 0.87 0.73 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 90 R 7.51 3.85 0.00 1.97 1.97 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 91 P 0.00 4.21 0.00 2.13 2.08 0.00 3.62 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 2.08 2.16 0.00 92 T 7.85 3.92 4.33 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 0.00 0.00 0.00 1.20 0.00 0.00 93 L 8.36 3.98 0.00 1.77 1.71 0.86 0.67 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 94 N 8.27 4.30 0.00 2.87 2.85 0.00 0.00 6.70 7.24 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 95 E 8.30 3.92 0.00 1.91 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 0.00 2.34 2.37 0.00 96 L 8.18 4.30 0.00 1.72 1.74 0.93 0.88 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 97 G 7.65 3.85 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 0.00 0.00 0.00 98 I 7.92 4.40 1.90 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 1.37 0.66 0.85 0.00 0.00 99 S 8.86 4.84 0.00 4.12 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 0.00 100 T 8.32 4.21 4.48 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 1.25 0.00 0.00 101 P 0.00 4.26 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 102 E 8.20 4.16 0.00 2.12 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 0.00 2.52 2.66 0.00 103 E 7.96 4.02 0.00 2.17 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 2.37 2.37 0.00 104 L 8.06 4.29 0.00 1.66 1.78 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.92 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 0.00 0.00 0.00 106 L 8.09 4.31 0.00 1.75 1.72 0.93 1.30 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 0.00 107 D 8.01 4.67 0.00 2.77 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 0.00 108 K 7.44 4.71 0.00 1.89 1.80 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.36 7.81 109 V 8.10 4.01 2.07 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 0.71 0.00 0.00 0.92 0.00 0.00