NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5076 8.1693 122.7236 55.3369 43.1132 175.4563 4 T 4.5963 8.8203 116.6710 59.1762 72.6449 171.2053 5 A 4.9523 8.5414 122.8792 50.1603 22.2877 176.0966 6 D 4.7771 8.8851 122.8425 51.9297 43.2466 174.1677 7 P 4.8154 0.0000 0.0000 61.3736 32.2311 174.9705 8 P 4.5046 0.0000 0.0000 63.9654 31.8740 175.8721 9 A 4.7620 7.5742 119.6190 50.4724 22.6201 174.6514 10 C 5.0070 9.2778 120.9240 57.7384 34.5484 173.0648 11 T 5.1215 8.5062 114.9563 60.3940 70.8028 173.2426 12 V 4.6666 8.8161 119.1985 58.3768 36.5471 173.4579 13 P 4.7591 0.0000 0.0000 62.4684 32.0304 177.5717 14 A 4.0749 9.3419 126.2993 55.0265 18.9198 179.5147 15 A 4.0160 8.0849 116.7251 53.3930 18.8981 176.3973 16 G 4.0476 7.1968 105.5787 44.0541 0.0000 174.3218 *17 V 4.1149 7.4238 117.7506 61.1669 37.6360 170.1432 18 S 5.2298 8.2167 109.4646 58.9570 65.5300 174.1634 19 S 4.6684 9.5463 120.2801 57.0611 65.9261 172.4001 20 T 5.0301 8.5685 123.2706 62.1513 70.4979 173.3153 21 H 4.9650 9.1483 123.2917 53.8559 32.5445 172.9273 22 K 4.7456 8.9228 123.3276 54.9273 33.5174 175.9230 23 L 4.5576 8.9326 127.3107 54.3975 42.9169 176.3382 24 V 4.6515 8.9996 124.2843 61.0100 34.4010 173.6355 25 N 4.9311 8.9975 127.3307 52.1136 40.0034 174.5314 26 G 4.0596 8.6709 112.9063 46.2646 0.0000 172.6000 27 G 4.0707 8.6421 108.8474 45.2514 0.0000 173.9442 28 A 4.7794 8.4458 120.4626 51.5630 19.2005 176.2610 29 E 4.8384 7.6189 114.1577 54.8915 33.0305 175.3021 30 K 4.4773 8.7160 122.4615 56.6398 33.7536 175.4299 31 I 5.2563 8.8937 119.4766 59.1131 40.9858 174.4851 32 V 5.2009 9.1512 123.9923 60.2100 34.1554 174.5056 33 F 5.9419 8.6994 116.8833 55.5112 42.0662 173.1649 34 K 4.2787 9.5956 120.6768 54.6486 35.3780 174.7303 35 I 4.9810 8.4104 128.2230 59.4535 39.5503 175.1936 36 K 4.5690 9.0084 125.6704 54.5748 35.5297 175.0164 37 S 5.1640 8.5341 119.0919 56.6043 63.8569 174.1016 38 S 4.3462 8.9014 120.8059 59.8159 63.5845 173.7855 39 N 4.7730 8.5279 119.5014 52.6108 40.1061 173.3766 40 N 4.9311 8.7552 121.8348 53.3154 39.1690 176.2165 41 N 4.5395 8.8733 117.4535 55.8999 39.1297 176.0660 42 E 4.7487 8.2320 114.5180 55.4163 30.8490 174.5396 43 Y 5.3615 7.5085 117.3215 56.3036 41.9738 175.1493 44 R 4.7163 9.2759 121.3113 54.4290 34.0947 173.9656 45 I 4.9882 8.5860 123.4590 59.1213 40.6384 174.4443 46 A 4.7434 9.0137 130.4089 49.8497 21.8797 173.7767 47 P 5.0100 0.0000 0.0000 62.1045 33.3876 176.0262 48 V 4.0120 8.3839 118.5040 62.8955 32.9864 175.8389 49 F 4.7924 8.0467 117.6767 55.1934 42.6393 174.8057 50 G 3.3998 6.1304 106.6962 46.3298 0.0000 171.4870 51 F 5.7712 8.6568 117.2768 55.6895 42.9526 175.7320 52 V 4.5186 8.9935 120.0009 61.4085 34.3742 174.7483 53 D 4.9224 8.8641 127.7731 53.2347 42.3903 174.3437 54 P 4.4090 0.0000 0.0000 64.2505 31.6755 176.4016 55 S 3.7696 8.8557 116.3356 59.0085 62.5137 171.6736 56 G 4.4187 8.1437 108.3430 45.1388 0.0000 172.5051 57 S 5.3747 8.3875 112.7290 56.6082 66.6830 173.5216 58 K 4.6451 8.8582 121.4406 54.9409 35.3394 174.8672 59 D 5.1633 8.9288 127.7731 53.9067 42.0979 176.0842 60 V 4.5085 8.8676 122.8048 59.9755 34.2020 174.4722 61 V 4.5769 9.1382 126.6017 61.4186 33.5008 174.4156 62 I 4.7796 9.2813 129.7016 60.2554 39.0084 174.5614 63 T 4.9815 9.0568 125.1394 61.7842 70.7825 173.6250 64 R 4.8460 9.1463 127.3584 54.6757 32.7095 175.1903 65 T 4.8419 8.3966 116.2557 59.3666 72.1572 173.4527 66 A 4.3601 8.4937 123.8821 52.6522 18.8550 177.1773 67 G 3.9825 8.0275 107.9124 45.7662 0.0000 172.8615 68 A 4.3181 8.6501 123.0620 50.8065 19.0266 175.7641 69 P 4.4992 0.0000 0.0000 63.4819 32.0378 175.3511 70 K 4.3506 8.5976 120.7599 56.1423 36.5338 173.0585 71 E 5.1218 8.8568 123.7588 55.2058 31.1696 175.0303 72 D 5.0324 9.1327 123.4314 52.7061 46.0603 174.2185 73 K 4.9143 9.1788 117.1980 54.9185 36.9509 175.6749 74 L 4.7845 8.8042 126.0156 53.3902 44.3207 174.9921 75 V 4.4235 8.8251 127.5756 61.2259 33.7758 174.4771 76 V 4.6075 8.6198 128.6879 61.7118 33.2408 173.9073 77 H 5.2630 9.2750 127.1918 54.8191 30.3551 174.7992 78 F 5.8483 8.4202 117.2878 55.7296 42.2016 172.9435 79 A 4.7876 9.0136 119.3610 50.9125 23.1631 175.6311 80 S 4.5147 8.8027 114.2814 58.5734 63.0304 173.6378 81 A 4.4841 8.8564 130.2053 50.9581 18.8491 175.7842 82 P 4.1043 0.0000 0.0000 63.6091 32.7332 179.6638 83 A 3.1762 7.4639 118.2967 51.9149 20.6093 176.5023 84 D 4.8588 8.2111 118.6843 52.0237 43.0115 176.4265 85 A 4.1205 8.0564 122.1849 53.0149 18.8401 178.5023 86 T 4.4268 8.5676 111.2487 61.6405 70.7996 174.8863 87 D 4.7881 8.0685 122.3597 50.8080 42.1618 175.1808 88 A 3.5949 8.0118 127.0083 55.1680 17.9601 178.8766 89 Q 2.9189 7.5804 115.7128 58.8545 29.1783 177.8362 90 A 4.0319 7.5949 120.2502 55.2361 18.4774 179.5573 91 A 3.9940 8.0459 119.2877 55.0609 18.5408 179.4044 92 F 3.9212 9.0928 119.6203 60.6237 39.1852 177.2499 93 V 3.8525 7.6192 116.8846 65.0495 31.3819 175.8867 94 A 4.6189 7.9381 118.5364 51.4612 20.0991 175.7904 95 V 4.1988 7.1814 114.2713 60.5286 33.4621 174.6564 96 A 4.4403 8.2187 129.4285 49.9565 19.8530 175.3101 97 P 4.2174 0.0000 0.0000 63.4329 31.9343 176.0246 98 A 4.3542 8.6381 123.1826 53.6050 20.2400 176.9016 99 G 3.8077 6.7366 100.7814 45.8988 0.0000 172.3117 100 T 5.7451 7.9809 108.5479 59.3846 71.9861 173.7089 101 V 4.5993 8.5759 115.7936 59.9864 35.4439 174.3411 102 T 4.9167 8.5897 121.0730 61.8487 70.8013 173.6869 103 I 4.5759 8.5756 127.8832 58.7300 39.3690 173.5394 104 P 4.7475 0.0000 0.0000 62.8918 33.1024 175.2358 105 M 5.0410 8.9065 121.6678 53.9205 35.0007 174.9516 106 S 4.9291 9.3279 121.5945 56.8620 65.0542 173.5728 107 A 5.0679 8.8465 129.0220 51.0021 19.9522 175.9269 108 T 4.8705 8.6532 112.5587 59.8976 72.2744 174.8709 109 A 4.1502 8.4228 124.3111 52.6430 18.5187 177.5972 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 L 8.17 4.51 0.00 1.17 1.08 0.80 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.82 4.60 4.20 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 1.17 0.00 0.00 5 A 8.54 4.95 1.19 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 0.00 0.00 6 D 8.89 4.78 0.00 2.77 2.51 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 7 P 0.00 4.82 0.00 2.28 1.95 0.00 3.55 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 8 P 0.00 4.50 0.00 2.16 2.15 0.00 3.71 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 1.98 1.95 0.00 9 A 7.57 4.76 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 10 C 9.28 5.01 0.00 2.89 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 11 T 8.51 5.12 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 1.23 0.00 0.00 12 V 8.82 4.67 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 0.80 0.00 0.00 1.05 0.00 0.00 13 P 0.00 4.76 0.00 2.27 1.96 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 2.11 2.09 0.00 14 A 9.34 4.07 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 15 A 8.08 4.02 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 16 G 7.20 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 *17 V 7.42 4.11 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 0.62 0.00 0.00 0.93 0.00 0.00 18 S 8.22 5.23 0.00 3.83 3.71 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 19 S 9.55 4.67 0.00 3.89 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 20 T 8.57 5.03 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 1.20 0.00 0.00 21 H 9.15 4.97 0.00 2.98 3.12 0.00 5.60 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 22 K 8.92 4.75 0.00 1.66 1.73 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.70 1.38 7.81 23 L 8.93 4.56 0.00 1.48 1.39 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.00 4.65 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 0.99 0.00 0.00 0.96 0.00 0.00 25 N 9.00 4.93 0.00 2.88 2.86 0.00 0.00 6.63 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 26 G 8.67 4.06 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 0.00 0.00 0.00 27 G 8.64 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 28 A 8.45 4.78 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 29 E 7.62 4.84 0.00 1.93 1.88 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 2.19 2.32 0.00 30 K 8.72 4.48 0.00 1.84 1.71 0.00 1.36 0.00 0.00 1.34 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.47 7.81 31 I 8.89 5.26 2.05 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 1.66 0.90 0.97 0.00 0.00 32 V 9.15 5.20 2.34 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 0.84 0.00 0.00 1.13 0.00 0.00 33 F 8.70 5.94 0.00 3.30 3.32 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 34 K 9.60 4.28 0.00 0.79 0.74 0.00 0.95 0.00 0.00 1.21 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.64 0.21 7.81 35 I 8.41 4.98 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.89 0.00 0.00 36 K 9.01 4.57 0.00 1.63 1.62 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.22 7.81 37 S 8.53 5.16 0.00 3.76 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 38 S 8.90 4.35 0.00 3.88 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 39 N 8.53 4.77 0.00 3.08 2.91 0.00 0.00 6.99 6.25 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 40 N 8.76 4.93 0.00 2.77 2.84 0.00 0.00 7.16 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 41 N 8.87 4.54 0.00 2.89 2.86 0.00 0.00 6.81 7.45 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 42 E 8.23 4.75 0.00 1.67 1.71 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 2.20 2.13 0.00 43 Y 7.51 5.36 0.00 3.08 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 44 R 9.28 4.72 0.00 1.70 1.81 0.00 3.26 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 45 I 8.59 4.99 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.90 0.00 0.00 46 A 9.01 4.74 1.24 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 0.00 0.00 47 P 0.00 5.01 0.00 2.35 2.14 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 48 V 8.38 4.01 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 1.06 0.00 0.00 0.56 0.00 0.00 49 F 8.05 4.79 0.00 2.66 2.62 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 50 G 6.13 3.40 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 0.00 51 F 8.66 5.77 0.00 2.98 2.89 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 52 V 8.99 4.52 2.21 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 1.07 0.00 0.00 1.17 0.00 0.00 53 D 8.86 4.92 0.00 2.67 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 54 P 0.00 4.41 0.00 2.04 2.11 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 55 S 8.86 3.77 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 0.00 57 S 8.39 5.37 0.00 3.86 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 58 K 8.86 4.65 0.00 2.10 1.68 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 1.57 7.81 59 D 8.93 5.16 0.00 2.63 2.60 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 0.00 0.00 0.00 0.00 60 V 8.87 4.51 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 0.69 0.00 0.00 0.90 0.00 0.00 61 V 9.14 4.58 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 1.05 0.00 0.00 0.95 0.00 0.00 62 I 9.28 4.78 2.04 0.00 0.00 0.74 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 0.46 1.05 0.00 0.00 63 T 9.06 4.98 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 1.22 0.00 0.00 64 R 9.15 4.85 0.00 1.67 1.81 0.00 2.51 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 65 T 8.40 4.84 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 1.17 0.00 0.00 66 A 8.49 4.36 1.25 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 0.00 0.00 0.00 67 G 8.03 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.65 4.32 1.24 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 0.00 0.00 69 P 0.00 4.50 0.00 2.09 2.09 0.00 3.80 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 1.99 1.97 0.00 70 K 8.60 4.35 0.00 1.84 1.67 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.34 7.81 71 E 8.86 5.12 0.00 1.89 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 2.25 2.27 0.00 72 D 9.13 5.03 0.00 2.48 2.42 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 73 K 9.18 4.91 0.00 1.53 1.56 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.33 7.81 74 L 8.80 4.78 0.00 1.52 1.46 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.83 4.42 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 0.74 0.00 0.00 0.88 0.00 0.00 76 V 8.62 4.61 2.21 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 0.93 0.00 0.00 0.83 0.00 0.00 77 H 9.28 5.26 0.00 3.27 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.42 5.85 0.00 3.34 3.32 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 79 A 9.01 4.79 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 0.00 0.00 0.00 0.00 0.00 80 S 8.80 4.51 0.00 3.96 3.81 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 81 A 8.86 4.48 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 82 P 0.00 4.10 0.00 2.24 2.19 0.00 3.82 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 2.14 1.99 0.00 83 A 7.46 3.18 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 84 D 8.21 4.86 0.00 2.60 2.59 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 85 A 8.06 4.12 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 86 T 8.57 4.43 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 1.25 0.00 0.00 87 D 8.07 4.79 0.00 2.81 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 88 A 8.01 3.59 0.49 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 89 Q 7.58 2.92 0.00 0.98 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 90 A 7.59 4.03 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 91 A 8.05 3.99 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 92 F 9.09 3.92 0.00 3.43 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 93 V 7.62 3.85 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 0.88 0.00 0.00 1.01 0.00 0.00 94 A 7.94 4.62 1.25 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 0.00 0.00 0.00 95 V 7.18 4.20 1.75 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 0.60 0.00 0.00 0.85 0.00 0.00 96 A 8.22 4.44 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 97 P 0.00 4.22 0.00 2.05 2.08 0.00 3.68 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 2.18 2.37 0.00 98 A 8.64 4.35 1.24 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 0.00 0.00 99 G 6.74 3.81 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 0.00 0.00 0.00 100 T 7.98 5.75 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 1.03 0.00 0.00 101 V 8.58 4.60 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 0.88 0.00 0.00 0.98 0.00 0.00 102 T 8.59 4.92 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 1.21 0.00 0.00 103 I 8.58 4.58 1.73 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 1.20 0.75 0.78 0.00 0.00 104 P 0.00 4.75 0.00 2.09 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 2.04 1.97 0.00 105 M 8.91 5.04 0.00 1.74 1.71 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 106 S 9.33 4.93 0.00 3.73 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 0.00 107 A 8.85 5.07 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 0.00 108 T 8.65 4.87 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 1.23 0.00 0.00 109 A 8.42 4.15 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.