NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4444 8.3049 120.3484 55.3972 33.4667 174.5948 2 K 4.3004 7.8039 122.4243 56.5598 35.8420 173.5202 3 T 3.4594 7.7906 114.8458 64.6153 72.9649 173.3625 4 Y 4.8407 7.7770 117.7511 57.5022 40.1926 174.0941 5 V 4.4963 7.5952 120.6151 60.1137 34.7071 172.6766 6 P 4.8763 0.0000 0.0000 61.0599 33.1591 175.8777 7 K 4.2946 8.1733 119.9476 55.3898 34.1465 175.8871 8 Q 4.0483 8.4594 119.5029 56.7371 28.4272 176.8488 9 V 3.9039 7.9888 126.5460 62.2541 33.1475 174.8036 10 E 4.3436 8.5014 120.7780 53.8472 30.9201 173.2417 11 P 4.1007 0.0000 0.0000 63.1813 30.5743 176.1052 12 R 4.5111 8.3232 125.1027 54.4268 29.7678 175.9054 13 W 4.8286 9.0494 126.1832 58.0503 30.0699 174.9643 14 V 4.3210 8.5024 115.3204 62.7732 34.4891 171.8631 15 L 5.1466 8.3980 129.7350 53.7946 44.4177 174.6025 16 I 4.6485 8.8157 124.8840 60.4054 42.1571 172.6312 17 D 4.5843 8.0909 120.9598 53.1996 43.5956 176.1266 18 A 4.7781 7.7653 130.3989 50.6685 19.1445 176.3772 19 E 4.0106 8.4350 119.1537 57.8642 30.0374 178.9303 20 G 3.9673 7.8485 107.2680 45.9551 0.0000 173.6197 21 K 4.5008 8.9540 121.0698 55.2489 35.3043 175.3435 22 T 4.8882 8.1439 117.9090 62.0299 69.6974 174.9354 23 L 3.8093 7.7943 127.4377 57.6029 40.8283 176.3569 24 G 4.3501 9.5039 116.5379 45.6966 0.0000 175.6620 25 R 4.1280 7.7016 121.1215 58.0447 30.5667 178.3844 26 L 4.2093 8.1149 119.7121 57.4537 42.3449 178.3508 27 A 3.9495 7.8181 120.2159 56.2195 18.4062 178.4389 28 T 3.7418 8.6010 110.7835 65.5077 67.0873 175.6762 29 K 3.8407 7.8794 120.1855 59.2758 32.3214 179.0332 30 I 3.6273 7.8566 119.4305 64.2490 36.6219 178.1523 31 A 4.0628 8.6593 122.2170 55.6945 17.8493 179.4410 32 T 3.7899 8.5930 115.2589 66.9755 68.3086 176.2130 33 L 3.7327 8.0221 120.6120 59.3814 42.6201 178.3060 34 L 3.1859 8.8145 115.1153 58.2290 42.4018 177.2457 35 R 4.3707 7.5614 118.8199 56.2114 30.7694 179.0057 36 G 3.9557 8.5251 111.2541 45.8994 0.0000 172.8886 37 K 3.3083 7.8433 122.6087 57.3651 33.3746 177.2029 38 H 4.3707 7.9539 113.0255 57.3723 29.6117 175.2595 39 R 3.9021 6.9607 122.6891 54.9793 29.3625 175.8789 40 P 4.6045 0.0000 0.0000 63.0297 31.0667 176.5510 41 D 5.0302 8.4310 114.4807 53.7699 41.0380 175.9797 42 W 5.0468 8.0016 128.8680 58.2837 32.0833 175.7485 43 T 3.9005 6.8883 113.9105 61.9128 69.9403 171.8602 44 P 3.2049 0.0000 0.0000 64.2221 31.3083 177.5653 45 N 4.5749 7.4327 114.4323 52.8265 37.8813 176.4026 46 V 3.5201 7.2909 119.7104 63.6265 32.3730 177.2392 47 A 4.2157 8.0009 123.9603 52.1330 15.8935 177.6234 48 M 4.8035 8.0095 118.7002 53.3787 34.5074 176.6290 49 G 4.7682 8.3065 108.8553 45.7517 0.0000 171.9104 50 D 4.7055 8.8683 119.5837 54.3348 41.5934 176.6027 51 F 4.2730 8.8152 118.4988 60.4425 39.8570 175.8054 52 V 3.5024 6.7591 117.0203 58.6336 33.3408 174.3636 53 V 4.9299 9.5477 127.7022 61.2177 34.8523 173.9252 54 V 5.5675 8.5444 127.7409 60.7582 33.7797 174.8585 55 V 4.5464 8.3266 126.9796 60.6156 34.5237 174.1925 56 N 4.1867 8.8701 115.6685 52.9812 36.7575 172.5461 57 A 4.2023 7.8874 121.6503 53.6089 20.2487 178.5865 58 D 3.9845 9.4395 114.7670 53.8502 40.6180 175.6154 59 K 3.8769 8.7741 116.6393 56.9495 30.5331 175.3972 60 I 4.0922 7.4661 120.1887 60.3764 36.0001 176.4496 61 R 4.2693 8.3416 124.8965 56.4183 31.3356 176.9180 62 V 4.4974 8.2961 113.0511 64.7171 32.5025 173.4774 63 T 3.2364 7.9425 112.4249 62.4879 70.9646 171.4980 64 G 4.0399 8.4812 111.2223 45.2396 0.0000 171.4824 65 K 4.3639 8.4014 118.1827 55.6083 32.9787 177.8568 66 K 4.6976 8.3804 124.5471 55.9735 32.9895 178.0209 67 L 4.2663 7.6393 119.1432 53.3864 40.2719 177.3711 68 E 4.0444 8.2870 116.0538 56.3927 27.3209 175.7758 69 Q 4.0647 7.8706 117.9755 57.2809 29.4934 175.3560 70 K 4.4815 7.9617 119.5339 55.1433 33.1792 175.0648 71 I 4.9536 8.3752 128.1354 60.1013 39.6931 175.8628 72 Y 4.4402 10.0062 123.9912 56.2657 37.6930 176.5814 73 T 3.6708 8.7762 120.4630 67.6044 69.2781 178.1453 74 R 3.0124 7.3064 115.3227 58.4428 30.5001 175.9431 75 Y 4.3544 9.6796 118.3132 56.6141 38.5058 175.3982 76 S 4.4697 8.4652 119.2980 55.6193 63.0664 173.4118 77 G 3.5232 7.8853 115.2696 46.8289 0.0000 171.5588 78 Y 5.2458 7.4204 129.4462 56.7811 38.9718 173.4179 79 P 4.6311 0.0000 0.0000 65.2352 31.9164 176.2920 80 G 4.0585 7.5381 105.8405 44.9870 0.0000 172.9356 81 G 4.0864 7.7321 110.3384 43.6075 0.0000 173.6545 82 L 4.7866 8.1134 126.3719 54.1794 39.5357 176.0682 83 K 3.9112 7.4135 118.9625 56.4933 32.6245 175.0060 84 K 4.9730 8.4584 125.5107 55.1331 33.9933 176.1099 85 I 4.7644 8.2249 122.6765 59.2171 41.1549 173.3535 86 P 4.9708 0.0000 0.0000 61.5497 33.0795 176.3713 87 L 3.6938 9.1890 119.4704 58.6562 41.3986 180.4745 88 E 3.7740 7.5017 117.1775 59.7452 29.7922 179.0834 89 K 3.8056 7.8798 118.0705 59.6015 31.9834 178.6850 90 M 4.2415 7.7518 119.0528 58.2492 31.9410 178.5437 91 L 3.9185 7.5891 117.1594 58.8472 41.9333 179.0058 92 A 4.1609 8.2464 120.8864 53.9775 18.3570 176.9828 93 T 3.4289 8.6700 112.9668 63.2366 67.7991 175.5334 94 H 4.2772 8.3843 120.2544 55.8394 28.3144 172.3495 95 P 5.1361 0.0000 0.0000 61.3837 29.8193 177.6060 96 E 3.7642 9.5600 115.4959 57.9545 30.5153 176.6649 97 R 3.9425 8.1826 117.7608 59.3933 30.4352 179.5582 98 V 3.5018 7.5669 115.3450 65.7118 32.3652 177.3055 99 L 4.1695 8.4758 121.4514 58.2107 41.9210 178.0300 100 E 3.9507 8.2413 117.8405 60.2791 29.3429 178.8422 101 H 4.1507 8.8053 115.6582 59.3204 28.7477 177.5426 102 A 4.0727 7.7039 120.8137 55.1760 18.1866 179.5536 103 V 3.7946 8.2685 117.0700 65.5706 31.7755 177.7815 104 K 3.8723 8.4941 119.5791 59.7976 31.8826 179.8317 105 G 4.0517 7.7300 103.5815 46.0169 0.0000 174.1009 106 M 4.6983 8.5431 119.6217 54.6557 34.7771 176.0365 107 L 4.4457 7.4941 118.7763 52.5454 42.9202 174.8502 108 P 4.3757 0.0000 0.0000 62.8449 31.4507 177.4059 109 K 3.8684 8.5811 118.7297 59.3786 33.0292 177.9400 110 G 3.8839 7.8100 106.4789 43.4509 0.0000 171.9543 111 P 4.4002 0.0000 0.0000 64.5869 30.8807 178.2834 112 L 4.1389 7.8435 120.0991 57.6732 42.3384 178.4497 113 G 4.3630 8.0347 106.6128 47.0463 0.0000 175.2608 114 R 3.9091 7.8710 120.2045 59.4187 30.4809 178.1862 115 R 4.0316 7.8911 118.5722 59.2928 29.9814 178.4737 116 L 3.9383 9.5554 118.8570 57.6819 40.5273 179.2055 117 F 4.0275 8.4444 120.2739 60.6573 39.0741 177.0062 118 K 4.1513 7.8332 116.9807 58.4563 31.8142 179.2093 119 R 3.2772 7.5747 118.6986 57.8271 30.5172 176.4698 120 L 3.7152 6.0496 115.4670 55.5029 42.8074 176.7968 121 K 4.1646 8.7779 126.1548 54.8410 34.0829 174.1507 122 V 4.7058 7.7487 125.6465 61.3911 33.2298 174.0681 123 Y 4.8225 8.8103 122.9335 56.0638 42.6525 174.8970 124 A 4.6316 8.5353 124.3607 50.4335 16.2254 177.8677 125 G 4.0592 7.9547 123.0155 43.4959 0.0000 170.1297 126 P 4.1462 0.0000 0.0000 63.2625 31.4972 176.2856 127 D 4.7454 8.9132 117.7306 55.5284 39.6185 176.1482 128 H 4.2818 8.3594 121.8840 52.8881 28.0617 172.8434 129 P 4.4836 0.0000 0.0000 63.0184 29.3309 175.3995 130 H 4.7229 7.3997 126.7051 56.6770 32.3450 173.6456 131 Q 4.3935 7.6665 115.4454 54.8138 31.0244 175.1664 132 A 4.5356 7.7598 119.8548 51.8936 20.9542 177.0003 133 Q 4.3958 7.0871 115.3701 54.8085 29.7137 173.1010 134 R 4.2551 7.7531 115.2819 54.7579 30.1338 176.3033 135 P 4.6661 0.0000 0.0000 67.0631 31.6154 176.3826 136 E 4.3250 6.7778 116.8719 58.5056 29.4125 175.5252 137 K 4.5306 8.4211 127.2495 55.0765 34.6188 176.0702 138 L 4.5340 8.1365 124.6900 54.0835 41.2531 177.2725 *139 E 4.1515 7.8430 117.7258 56.1412 30.3597 177.4983 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 4.44 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 7.80 4.30 0.00 1.68 1.46 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.58 7.81 3 T 7.79 3.46 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 1.09 0.00 0.00 4 Y 7.78 4.84 0.00 2.93 2.92 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 5 V 7.60 4.50 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 0.86 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.88 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 7 K 8.17 4.29 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 8 Q 8.46 4.05 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 V 7.99 3.90 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 0.80 0.00 0.00 1.01 0.00 0.00 10 E 8.50 4.34 0.00 1.91 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 0.00 2.21 2.38 0.00 11 P 0.00 4.10 0.00 1.85 2.22 0.00 3.84 0.00 0.00 3.63 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 12 R 8.32 4.51 0.00 1.93 2.01 0.00 3.32 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 13 W 9.05 4.83 0.00 3.14 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 14 V 8.50 4.32 2.17 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 0.90 0.00 0.00 1.04 0.00 0.00 15 L 8.40 5.15 0.00 1.84 1.58 0.90 0.84 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 16 I 8.82 4.65 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 1.12 0.94 0.96 0.00 0.00 17 D 8.09 4.58 0.00 2.85 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 18 A 7.77 4.78 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 19 E 8.44 4.01 0.00 2.25 2.55 0.00 0.00 0.00 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 2.80 0.00 20 G 7.85 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 0.00 0.00 0.00 21 K 8.95 4.50 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 22 T 8.14 4.89 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 1.22 0.00 0.00 23 L 7.79 3.81 0.00 1.75 1.71 1.04 0.82 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 24 G 9.50 4.35 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 0.00 25 R 7.70 4.13 0.00 1.99 2.03 0.00 3.36 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 26 L 8.11 4.21 0.00 1.78 1.74 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.82 3.95 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 28 T 8.60 3.74 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 1.27 0.00 0.00 29 K 7.88 3.84 0.00 1.97 1.86 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.53 7.81 30 I 7.86 3.63 2.00 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 1.44 1.06 0.87 0.00 0.00 31 A 8.66 4.06 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 32 T 8.59 3.79 4.30 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 1.14 0.00 0.00 33 L 8.02 3.73 0.00 1.78 1.85 0.69 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.81 3.19 0.00 1.85 1.50 0.85 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.56 4.37 0.00 2.21 2.09 0.00 3.11 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 36 G 8.53 3.96 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 0.00 0.00 0.00 37 K 7.84 3.31 0.00 1.21 1.97 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.22 7.81 38 H 7.95 4.37 0.00 3.27 3.33 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 6.96 3.90 0.00 1.61 1.69 0.00 3.40 0.00 0.00 3.58 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 40 P 0.00 4.60 0.00 2.23 2.13 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 41 D 8.43 5.03 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 42 W 8.00 5.05 0.00 3.15 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 43 T 6.89 3.90 4.09 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 1.07 0.00 0.00 44 P 0.00 3.20 0.00 1.91 1.76 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 45 N 7.43 4.57 0.00 2.73 2.83 0.00 0.00 6.09 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 46 V 7.29 3.52 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 0.72 0.00 0.00 0.92 0.00 0.00 47 A 8.00 4.22 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 48 M 8.01 4.80 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 49 G 8.31 4.77 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 0.00 0.00 0.00 50 D 8.87 4.71 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 51 F 8.82 4.27 0.00 1.86 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 52 V 6.76 3.50 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 0.92 0.00 0.00 0.92 0.00 0.00 53 V 9.55 4.93 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 1.26 0.00 0.00 1.49 0.00 0.00 54 V 8.54 5.57 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 1.06 0.00 0.00 0.93 0.00 0.00 55 V 8.33 4.55 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 0.86 0.00 0.00 0.99 0.00 0.00 56 N 8.87 4.19 0.00 2.82 3.19 0.00 0.00 7.30 7.96 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 57 A 7.89 4.20 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 58 D 9.44 3.98 0.00 2.92 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 59 K 8.77 3.88 0.00 1.94 1.97 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 7.47 4.09 1.89 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 1.29 1.00 1.05 0.00 0.00 61 R 8.34 4.27 0.00 1.81 1.88 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 62 V 8.30 4.50 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 0.67 0.00 0.00 0.97 0.00 0.00 63 T 7.94 3.24 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 1.22 0.00 0.00 64 G 8.48 4.04 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 0.00 0.00 0.00 65 K 8.40 4.36 0.00 1.76 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 66 K 8.38 4.70 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.35 1.40 7.81 67 L 7.64 4.27 0.00 1.64 1.64 0.93 1.10 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 68 E 8.29 4.04 0.00 2.14 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 0.00 2.18 2.44 0.00 69 Q 7.87 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 70 K 7.96 4.48 0.00 1.96 1.81 0.00 1.64 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.71 2.04 7.81 71 I 8.38 4.95 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.99 0.00 0.00 72 Y 10.01 4.44 0.00 3.09 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 73 T 8.78 3.67 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 1.22 0.00 0.00 74 R 7.31 3.01 0.00 1.59 1.81 0.00 3.12 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 75 Y 9.68 4.35 0.00 3.11 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 76 S 8.47 4.47 0.00 3.78 3.75 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 77 G 7.89 3.52 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 0.00 0.00 0.00 0.00 78 Y 7.42 5.25 0.00 2.92 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 79 P 0.00 4.63 0.00 2.31 2.60 0.00 3.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 80 G 7.54 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 81 G 7.73 4.09 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 0.00 0.00 0.00 82 L 8.11 4.79 0.00 1.75 1.72 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.41 3.91 0.00 1.72 1.84 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.60 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 K 8.46 4.97 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.47 7.81 85 I 8.22 4.76 1.95 0.00 0.00 0.66 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 0.99 0.86 0.00 0.00 86 P 0.00 4.97 0.00 2.12 2.19 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 87 L 9.19 3.69 0.00 1.85 1.71 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.50 3.77 0.00 2.00 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 2.39 2.45 0.00 89 K 7.88 3.81 0.00 1.96 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 90 M 7.75 4.24 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 91 L 7.59 3.92 0.00 1.83 1.71 0.91 0.82 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 92 A 8.25 4.16 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 93 T 8.67 3.43 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 1.22 0.00 0.00 94 H 8.38 4.28 0.00 3.63 3.71 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.14 0.00 2.20 1.61 0.00 3.56 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 96 E 9.56 3.76 0.00 2.21 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 2.28 2.26 0.00 97 R 8.18 3.94 0.00 1.95 2.12 0.00 3.09 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 98 V 7.57 3.50 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 0.78 0.00 0.00 0.89 0.00 0.00 99 L 8.48 4.17 0.00 1.74 1.75 0.91 0.88 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 0.00 100 E 8.24 3.95 0.00 2.15 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 0.00 2.32 2.55 0.00 101 H 8.81 4.15 0.00 3.31 3.40 0.00 5.64 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 0.00 102 A 7.70 4.07 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 0.00 103 V 8.27 3.79 2.31 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 1.00 0.00 0.00 1.01 0.00 0.00 104 K 8.49 3.87 0.00 1.74 1.68 0.00 1.17 0.00 0.00 1.43 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.21 7.81 105 G 7.73 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 0.00 106 M 8.54 4.70 0.00 1.91 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 107 L 7.49 4.45 0.00 1.77 1.65 1.09 1.17 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 0.00 108 P 0.00 4.38 0.00 2.23 2.25 0.00 3.74 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 2.12 2.05 0.00 109 K 8.58 3.87 0.00 1.86 1.97 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 110 G 7.81 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 0.00 111 P 0.00 4.40 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 112 L 7.84 4.14 0.00 1.74 1.61 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.03 4.36 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 0.00 114 R 7.87 3.91 0.00 2.01 2.09 0.00 3.26 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 115 R 7.89 4.03 0.00 2.15 2.03 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 116 L 9.56 3.94 0.00 1.91 1.70 0.99 0.92 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 0.00 117 F 8.44 4.03 0.00 3.24 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 0.00 118 K 7.83 4.15 0.00 1.95 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.76 7.81 119 R 7.57 3.28 0.00 1.57 1.34 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 120 L 6.05 3.72 0.00 1.24 1.15 0.72 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.78 4.16 0.00 1.88 1.69 0.00 1.13 0.00 0.00 1.41 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.14 7.81 122 V 7.75 4.71 1.91 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 0.80 0.00 0.00 0.85 0.00 0.00 123 Y 8.81 4.82 0.00 3.00 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 0.00 124 A 8.54 4.63 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 0.00 125 G 7.95 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 0.00 126 P 0.00 4.15 0.00 2.19 2.12 0.00 3.75 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 2.00 2.02 0.00 127 D 8.91 4.75 0.00 2.69 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 0.00 128 H 8.36 4.28 0.00 3.17 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.48 0.00 2.10 2.03 0.00 3.38 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 130 H 7.40 4.72 0.00 3.19 3.22 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.67 4.39 0.00 2.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 1.92 2.44 0.00 132 A 7.76 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.09 4.40 0.00 1.75 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 134 R 7.75 4.26 0.00 1.96 2.08 0.00 3.00 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 135 P 0.00 4.67 0.00 2.24 2.19 0.00 3.99 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 136 E 6.78 4.33 0.00 1.98 1.90 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 2.29 2.32 0.00 137 K 8.42 4.53 0.00 1.76 1.68 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.44 7.81 138 L 8.14 4.53 0.00 1.64 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 7.84 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.