NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.6856 8.2827 118.1225 52.3967 41.3708 175.7257 8 L 3.1121 7.7585 120.3573 58.2308 41.9827 178.0135 9 N 4.3627 8.3247 116.6429 56.0486 38.8788 176.8389 10 V 3.5668 8.6376 120.9224 65.9581 31.6732 177.8830 11 L 4.0244 7.8870 119.6342 58.0941 42.0411 178.1911 12 D 4.3715 8.2362 117.8203 57.3203 41.2114 178.1573 13 A 4.0596 8.7118 121.6923 55.2673 18.4787 179.5292 14 A 4.0999 8.8010 119.6385 55.0956 18.2973 179.7164 15 F 4.1061 8.9920 119.8067 61.5845 38.7955 176.7940 16 Y 4.0656 8.1947 118.7532 60.8313 38.6473 177.7659 17 S 4.4873 8.3237 114.1075 61.2310 62.3215 176.0398 18 L 3.8840 7.7312 122.4962 57.9729 41.8929 178.3565 19 E 3.6457 7.9166 119.5181 59.4614 29.5208 178.7263 20 Q 3.7236 8.8605 118.0751 59.1947 28.7053 179.1579 21 T 3.8004 7.8079 116.6097 66.8211 68.5036 177.1780 22 V 3.9723 7.9502 115.7496 63.6157 31.4531 178.7583 23 V 3.4792 7.5750 118.2249 66.0899 31.1957 177.8588 24 Q 3.8261 7.6587 116.4889 59.2779 28.6832 179.1113 25 I 3.5079 7.3971 119.1204 64.1900 37.0346 178.4156 26 S 4.2372 8.0947 115.9740 60.8518 64.3036 174.6966 27 D 4.7012 7.9895 122.0093 54.0438 37.1221 177.1440 28 R 4.1129 8.0798 121.0227 58.5817 30.5517 177.7442 29 N 4.3972 8.3405 116.7449 56.4367 39.2233 176.3648 30 W 4.2615 8.1933 128.4003 59.8822 30.8548 177.6277 31 F 4.3554 8.4343 119.8900 60.8931 39.4219 176.8293 32 D 4.4304 7.6451 117.7365 54.0738 39.9935 176.3761 *34 Q 3.7203 7.8769 116.3109 54.6209 30.3354 174.5218 35 P 4.2062 0.0000 0.0000 62.8807 33.3002 177.5570 36 S 3.9509 8.4868 113.9892 61.6452 62.3317 176.5459 37 I 3.6730 7.5759 120.8519 63.6185 37.7795 177.9752 38 V 3.5406 7.5496 118.9276 65.8782 31.3810 177.6836 39 Q 3.7304 7.5746 117.5727 59.0855 28.6129 178.8663 40 D 4.3750 8.3684 119.9482 56.4082 39.3453 178.7027 41 T 3.9408 7.8686 117.5825 66.3740 68.4282 176.6175 42 L 4.0401 8.0694 120.9050 57.9145 41.6572 179.3260 43 I 3.5306 8.0472 119.6799 64.5241 37.0724 178.1375 44 A 4.0978 8.1206 121.2806 55.3145 18.1952 179.9342 45 G 3.6111 8.8413 104.2523 47.8914 0.0000 175.7956 46 A 4.0939 8.7251 123.3984 54.9715 18.4181 179.8646 47 I 3.7259 8.1418 118.8939 64.5288 37.3142 178.3375 48 Q 3.6977 8.6713 120.7653 59.1211 28.7936 178.5725 49 K 4.1470 8.1777 119.2465 58.7024 32.0511 179.2900 50 F 4.1037 8.2203 121.4641 61.2742 39.3877 176.6253 51 E 3.2318 7.7278 118.1126 59.3824 29.1690 179.4511 52 F 4.5210 7.4900 116.8539 60.8053 39.0842 177.9470 53 V 3.7745 7.8003 117.2561 66.1731 31.4345 177.1272 54 Y 4.3272 8.3872 119.5808 61.0076 38.6970 177.9336 55 E 3.9296 8.8625 120.3516 59.3170 29.5789 178.7504 56 L 4.0668 8.5627 118.7336 57.7351 41.7062 179.3439 57 S 4.3145 8.4932 114.7464 61.6026 62.9256 176.3322 58 L 4.0747 7.5404 120.0892 57.1315 42.8974 179.7402 59 K 4.2113 7.5937 119.4596 56.3701 28.0211 177.0202 *62 K 4.0542 7.8193 123.4512 56.1611 34.7260 177.6713 63 R 3.9410 8.1789 118.6212 59.4466 29.8721 178.2848 64 Q 4.1609 7.7492 120.0290 58.5944 28.6192 177.6633 65 L 3.4802 7.7244 119.4913 58.1647 41.4321 179.6442 66 Q 3.9972 7.8970 116.1113 58.8344 28.7528 178.4674 67 Q 4.1359 8.1152 118.8126 57.6866 28.5842 176.9857 68 D 4.7859 7.4237 116.8112 53.8624 40.6955 176.1348 69 A 4.6447 7.3346 122.4695 50.5957 20.2734 178.5755 70 I 3.9607 8.3390 120.0699 63.7917 37.4201 176.5786 71 N 4.3630 6.9444 114.4303 52.7571 39.7570 174.8358 72 T 4.1864 8.5665 116.3620 65.6307 69.3679 176.1601 73 D 4.6029 8.3051 120.7915 57.3753 42.5202 177.3150 74 D 4.0983 8.9057 110.8004 57.5726 39.7228 178.8186 75 I 4.4145 8.6882 127.3773 60.9760 38.5941 174.8851 76 G 4.2839 8.0662 119.7629 45.6084 0.0000 172.8033 77 A 4.6202 8.2663 119.8228 51.5483 20.3573 174.7083 78 Y 4.3535 7.8120 116.4358 55.0069 41.4066 175.4297 79 G 4.1441 7.4957 109.4885 44.2831 0.0000 173.9890 80 F 4.2129 8.9443 123.2129 61.3446 39.4137 177.4781 81 K 3.7568 8.3808 117.3201 59.9574 31.9420 178.8800 82 D 4.3563 8.1992 118.2534 57.1539 40.7368 178.8337 83 I 3.6180 7.6077 120.5148 64.2514 37.0793 178.1348 84 L 3.6800 7.6677 119.9518 57.9022 41.4095 179.5191 85 R 3.8961 8.1201 117.9906 59.7230 30.1233 178.7646 86 E 3.9985 8.0543 117.9537 59.1486 29.6515 178.6415 87 A 3.9993 8.0236 120.8341 54.5136 18.3289 179.3932 88 L 3.9975 8.2114 119.8522 57.9989 41.9717 178.8899 89 R 3.9159 7.9313 117.7838 59.5809 30.1922 178.1223 90 F 4.3248 8.4123 113.1084 57.2307 38.6568 175.5549 91 G 4.0690 8.0303 106.2952 46.7500 0.0000 175.5979 92 L 4.1630 8.5716 122.7131 56.1621 41.9751 176.8708 93 I 5.4765 7.6304 109.8808 59.4931 40.6965 174.6224 94 G 3.7955 8.6948 107.6729 45.8425 0.0000 172.1876 95 D 4.5452 7.6277 117.5291 53.4908 44.3563 175.0785 *97 S 4.2037 8.4670 114.3878 58.4614 65.0262 176.8050 98 K 3.6163 8.9115 120.7302 59.1259 31.6493 179.4095 99 W 4.4553 8.0735 118.6200 59.5009 28.8412 178.6713 100 V 4.0968 8.0528 117.2202 65.9153 31.3536 177.4986 101 A 4.1294 7.7084 120.5869 55.5902 18.1525 178.9743 102 Y 4.4915 8.0872 115.5270 61.7275 37.9092 179.3042 103 R 3.7229 8.5856 119.4195 59.1123 29.4762 178.5032 104 D 4.5971 7.8258 115.2303 55.2321 40.3564 177.9724 *106 R 4.4191 7.9559 122.4403 56.4758 31.5617 176.8204 107 N 4.5233 8.2687 113.6076 54.6150 38.6892 175.3223 108 I 4.4632 7.1499 111.5187 60.2711 38.7798 177.4138 109 T 3.8499 7.5957 113.1932 64.7952 68.4951 175.8817 110 S 4.3614 7.9575 113.9784 59.7241 63.1465 173.9591 111 H 4.4934 8.4420 118.3717 55.9469 29.3628 176.1024 112 T 3.8491 7.5543 116.5468 65.1485 68.3568 174.5526 113 Y 4.1556 6.6643 119.4057 58.7597 38.7995 175.1751 114 D 4.5288 7.2494 121.9776 53.3615 41.4316 176.5401 115 Q 4.0118 8.8691 126.5591 59.2724 29.0366 178.0443 116 E 4.0858 8.3263 115.9527 59.5085 29.9049 178.2749 117 K 3.8656 9.1299 118.1091 59.6991 32.3446 179.6067 118 A 3.8291 7.9641 118.5281 52.7226 17.7684 178.9417 *120 A 4.1995 8.1492 123.6513 53.8071 20.7318 180.4067 121 V 3.3456 7.7616 114.9868 66.2424 31.4023 177.4958 122 Y 3.6248 8.2345 119.3397 60.6223 38.2771 178.0696 123 A 4.0034 7.3925 120.3925 54.8729 18.8468 178.7644 124 Q 4.1608 7.7875 114.5062 56.8814 29.0172 178.1736 125 I 3.5612 7.2688 122.4403 64.1574 36.8221 177.7139 126 D 4.3213 7.7750 118.5630 57.3166 40.9362 178.0503 127 D 4.4176 7.9995 117.8281 57.3147 41.5065 177.4943 128 F 3.6742 7.7960 122.4944 60.8356 39.1740 177.1300 129 L 3.9985 8.3555 118.4734 58.4321 41.2874 179.1223 130 I 3.7895 8.3112 120.0620 64.0154 36.8940 177.8305 131 E 4.1641 8.1574 118.6623 60.0076 29.5121 179.7933 132 S 4.2435 7.6177 113.6377 61.5120 62.8699 176.2774 133 S 3.4017 8.3589 116.8441 60.9183 62.0847 175.9449 134 F 4.0537 8.3447 123.1993 61.2063 39.1100 176.3531 135 L 4.3929 8.8176 121.9966 57.6834 41.8331 178.8099 136 L 3.8229 8.0959 120.0666 57.9824 41.7173 178.6399 137 E 3.7666 7.6568 117.5924 59.4737 29.6895 178.8864 138 Q 3.9169 7.5567 117.7594 59.1280 28.5750 179.1778 139 L 3.8982 7.6896 118.3882 57.9504 41.7265 179.2651 140 R 3.9958 8.1645 117.1206 59.5457 30.1152 177.2277 141 Q 4.2521 7.6626 120.3354 56.1122 28.9610 175.7489 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 7 N 8.28 4.69 0.00 2.75 2.81 0.00 0.00 6.59 5.85 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 8 L 7.76 3.11 0.00 1.80 1.69 0.88 0.22 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 9 N 8.32 4.36 0.00 2.76 2.84 0.00 0.00 6.80 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 10 V 8.64 3.57 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 0.91 0.00 0.00 11 L 7.89 4.02 0.00 1.83 1.82 1.10 1.16 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 12 D 8.24 4.37 0.00 3.02 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 13 A 8.71 4.06 1.40 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 0.00 0.00 14 A 8.80 4.10 1.48 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 0.00 0.00 15 F 8.99 4.11 0.00 3.21 3.33 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 0.00 16 Y 8.19 4.07 0.00 3.15 3.20 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 17 S 8.32 4.49 0.00 4.04 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 18 L 7.73 3.88 0.00 1.92 1.55 1.10 1.00 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 19 E 7.92 3.65 0.00 1.45 1.80 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 2.10 2.22 0.00 20 Q 8.86 3.72 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 21 T 7.81 3.80 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 1.25 0.00 0.00 22 V 7.95 3.97 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 1.02 0.00 0.00 0.92 0.00 0.00 23 V 7.57 3.48 2.18 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 0.95 0.00 0.00 0.91 0.00 0.00 24 Q 7.66 3.83 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 25 I 7.40 3.51 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.39 -0.02 0.00 0.00 26 S 8.09 4.24 0.00 3.96 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 27 D 7.99 4.70 0.00 2.71 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 28 R 8.08 4.11 0.00 1.95 2.08 0.00 3.19 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 29 N 8.34 4.40 0.00 2.90 2.95 0.00 0.00 7.11 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 30 W 8.19 4.26 0.00 3.31 3.39 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 0.00 31 F 8.43 4.36 0.00 3.25 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 32 D 7.65 4.43 0.00 2.81 2.64 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 *34 Q 7.88 3.72 0.00 1.48 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 6.92 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 35 P 0.00 4.21 0.00 2.03 1.89 0.00 3.38 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 36 S 8.49 3.95 0.00 3.79 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 37 I 7.58 3.67 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 1.50 1.16 0.87 0.00 0.00 38 V 7.55 3.54 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 0.93 0.00 0.00 0.85 0.00 0.00 39 Q 7.57 3.73 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 40 D 8.37 4.37 0.00 3.04 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 41 T 7.87 3.94 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 42 L 8.07 4.04 0.00 2.14 1.90 1.40 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.05 3.53 2.00 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 1.31 0.14 0.90 0.00 0.00 44 A 8.12 4.10 1.39 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 0.00 0.00 0.00 45 G 8.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.14 3.73 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 1.36 0.94 0.93 0.00 0.00 48 Q 8.67 3.70 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.14 1.46 0.00 49 K 8.18 4.15 0.00 1.89 1.95 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.70 7.81 50 F 8.22 4.10 0.00 2.81 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 51 E 7.73 3.23 0.00 1.87 1.76 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 2.09 2.42 0.00 52 F 7.49 4.52 0.00 3.37 2.95 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 53 V 7.80 3.77 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 1.31 0.00 0.00 1.27 0.00 0.00 54 Y 8.39 4.33 0.00 2.39 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 55 E 8.86 3.93 0.00 2.43 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 2.41 2.47 0.00 56 L 8.56 4.07 0.00 1.93 1.79 0.93 0.71 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 57 S 8.49 4.31 0.00 4.32 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 58 L 7.54 4.07 0.00 1.68 1.71 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.59 4.21 0.00 1.95 1.76 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.65 7.81 *62 K 7.82 4.05 0.00 1.88 1.91 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.39 7.81 63 R 8.18 3.94 0.00 2.06 1.85 0.00 3.12 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 64 Q 7.75 4.16 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 65 L 7.72 3.48 0.00 1.78 1.48 0.78 0.48 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 66 Q 7.90 4.00 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 67 Q 8.12 4.14 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 68 D 7.42 4.79 0.00 2.26 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 A 7.33 4.64 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 70 I 8.34 3.96 1.89 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 1.49 0.62 0.92 0.00 0.00 71 N 6.94 4.36 0.00 2.90 2.73 0.00 0.00 6.98 7.59 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 72 T 8.57 4.19 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 1.19 0.00 0.00 73 D 8.31 4.60 0.00 2.79 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 74 D 8.91 4.10 0.00 2.73 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 0.00 0.00 0.00 0.00 75 I 8.69 4.41 1.87 0.00 0.00 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 1.26 0.49 1.07 0.00 0.00 76 G 8.07 4.28 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 0.00 77 A 8.27 4.62 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 78 Y 7.81 4.35 0.00 2.97 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 79 G 7.50 4.14 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 0.00 0.00 0.00 80 F 8.94 4.21 0.00 3.21 3.19 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 0.00 0.00 0.00 81 K 8.38 3.76 0.00 1.94 1.92 0.00 1.81 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.74 7.81 82 D 8.20 4.36 0.00 3.12 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 83 I 7.61 3.62 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 1.48 0.80 0.71 0.00 0.00 84 L 7.67 3.68 0.00 1.63 1.56 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.12 3.90 0.00 1.81 2.00 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 86 E 8.05 4.00 0.00 2.26 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 2.27 2.39 0.00 87 A 8.02 4.00 1.21 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 0.00 0.00 88 L 8.21 4.00 0.00 1.87 1.86 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.93 3.92 0.00 2.06 2.27 0.00 3.30 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 90 F 8.41 4.32 0.00 2.97 3.10 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 91 G 8.03 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 92 L 8.57 4.16 0.00 1.77 1.63 0.76 0.47 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 93 I 7.63 5.48 2.06 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 1.28 0.69 0.57 0.00 0.00 94 G 8.69 3.80 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 0.00 0.00 0.00 95 D 7.63 4.55 0.00 2.67 2.54 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 0.00 0.00 0.00 0.00 *97 S 8.47 4.20 0.00 4.21 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 98 K 8.91 3.62 0.00 1.50 1.10 0.00 1.84 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.76 7.81 99 W 8.07 4.46 0.00 3.58 3.77 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 0.00 100 V 8.05 4.10 2.20 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 0.96 0.00 0.00 1.14 0.00 0.00 101 A 7.71 4.13 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 0.00 102 Y 8.09 4.49 0.00 3.54 3.29 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 0.00 0.00 0.00 0.00 103 R 8.59 3.72 0.00 1.53 1.87 0.00 2.71 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 104 D 7.83 4.60 0.00 3.08 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 *106 R 7.96 4.42 0.00 1.08 1.51 0.00 3.10 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 0.00 107 N 8.27 4.52 0.00 2.69 2.82 0.00 0.00 6.82 7.94 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 0.00 108 I 7.15 4.46 1.88 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 1.45 0.91 0.92 0.00 0.00 109 T 7.60 3.85 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 1.28 0.00 0.00 110 S 7.96 4.36 0.00 3.96 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 0.00 111 H 8.44 4.49 0.00 3.17 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.55 3.85 4.43 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 1.18 0.00 0.00 113 Y 6.66 4.16 0.00 3.13 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 0.00 114 D 7.25 4.53 0.00 2.61 2.47 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 0.00 115 Q 8.87 4.01 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 116 E 8.33 4.09 0.00 2.18 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 2.30 2.33 0.00 117 K 9.13 3.87 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 118 A 7.96 3.83 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 *120 A 8.15 4.20 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 0.00 121 V 7.76 3.35 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 0.54 0.00 0.00 0.80 0.00 0.00 122 Y 8.23 3.62 0.00 3.17 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 0.00 123 A 7.39 4.00 1.33 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 0.00 0.00 0.00 124 Q 7.79 4.16 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 125 I 7.27 3.56 1.32 0.00 0.00 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 0.95 0.17 0.74 0.00 0.00 126 D 7.77 4.32 0.00 2.54 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 0.00 127 D 8.00 4.42 0.00 2.76 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 0.00 128 F 7.80 3.67 0.00 2.95 3.07 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 0.00 129 L 8.36 4.00 0.00 1.83 1.76 0.79 0.47 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 0.00 130 I 8.31 3.79 2.06 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 1.56 0.86 0.94 0.00 0.00 131 E 8.16 4.16 0.00 1.93 2.35 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 2.49 2.43 0.00 132 S 7.62 4.24 0.00 4.20 3.47 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 0.00 133 S 8.36 3.40 0.00 4.13 4.16 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 0.00 134 F 8.34 4.05 0.00 3.21 3.37 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 0.00 135 L 8.82 4.39 0.00 2.01 2.01 0.87 0.07 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 0.00 136 L 8.10 3.82 0.00 1.76 1.54 0.60 1.07 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 0.00 137 E 7.66 3.77 0.00 1.96 1.76 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 2.25 2.34 0.00 138 Q 7.56 3.92 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 1.37 2.27 0.00 139 L 7.69 3.90 0.00 1.66 1.67 0.85 1.16 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 0.00 140 R 8.16 4.00 0.00 1.84 1.96 0.00 3.07 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 141 Q 7.66 4.25 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.