NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5615 8.1576 120.0903 55.7652 35.2947 175.0828 3 I 4.9471 7.6164 112.0981 58.3615 41.1640 172.9509 4 A 5.0019 9.0004 125.3142 50.1663 23.2442 176.2312 5 V 4.2859 8.5657 121.3395 61.3046 33.6491 174.8563 6 I 4.3425 8.6803 130.4403 59.8907 38.3427 174.2023 7 N 4.9446 8.9900 128.0830 52.1860 39.8895 175.2379 8 G 3.8455 9.3722 113.7758 46.2825 0.0000 174.3750 9 G 4.4344 8.8841 109.5579 46.1641 0.0000 173.1676 10 T 4.7556 8.4468 118.5841 59.6877 70.7896 173.7942 11 R 3.6974 8.0527 124.6209 55.7775 29.0834 176.0679 12 S 4.4730 8.3326 116.9112 57.0941 65.4018 174.1636 13 G 3.7822 8.3321 108.7493 47.2191 0.0000 174.7416 14 G 3.9940 7.8463 107.0676 43.0017 0.0000 174.0149 15 N 4.3165 8.6720 116.3976 56.9817 38.1486 177.7083 16 T 3.9326 7.8754 116.3281 66.7032 68.5585 176.4196 17 D 4.5004 8.0883 120.4443 57.1906 40.9857 178.7668 18 V 3.5752 8.0791 119.0417 65.9709 31.3480 177.8895 19 L 3.9433 7.6655 118.3348 58.0616 42.3533 178.4353 20 A 4.0866 8.1760 120.8254 55.1543 18.2040 179.2352 21 E 3.9381 8.4515 117.9863 59.2352 29.3902 178.8959 22 K 3.9357 8.0914 119.4256 59.3682 31.9510 178.5813 23 A 4.7406 7.5538 121.2630 53.5327 18.6119 178.9703 24 V 3.9219 7.2675 108.2027 59.8360 32.0908 175.3558 25 Q 4.2277 7.3101 121.2322 57.8627 29.1084 176.9783 26 G 3.9426 9.1436 113.3653 45.5105 0.0000 173.5397 27 F 4.2446 8.4062 116.9500 56.6554 40.3561 175.0257 28 D 4.2795 8.1672 118.9919 55.1516 39.0534 172.2054 29 A 4.5124 7.5480 120.1388 51.6277 20.7167 178.0716 30 E 4.3274 8.7950 119.2756 55.9602 31.0985 175.5190 31 H 4.7834 8.8555 121.9579 54.3278 30.4614 174.3581 32 I 4.1957 8.3852 125.7667 59.7980 39.1755 174.7378 33 Y 4.8753 8.4492 126.0215 55.9057 38.5106 175.6043 34 L 3.9278 8.2175 125.4670 54.4579 42.5735 177.9240 *58 D 4.5564 8.5396 123.6520 53.0166 41.1812 177.2587 59 Y 4.2075 8.5413 121.7799 62.3586 38.8696 176.6832 60 D 4.3900 8.3829 119.1521 57.4937 40.9677 178.6293 61 S 4.1760 8.1066 113.1725 61.3922 62.4317 176.1482 62 I 3.7131 7.8318 122.6012 64.3783 36.8513 178.4401 63 I 3.6123 7.6807 120.7469 64.3177 36.5649 178.3636 64 E 4.1213 7.9546 118.3998 59.5205 29.4865 179.3299 65 R 4.1045 8.0516 118.3914 59.2385 30.1734 179.2162 66 I 3.7688 8.0232 112.9920 63.8215 37.4407 178.1443 67 L 4.1001 7.9789 119.6342 56.9111 41.4941 178.3689 68 Q 4.3217 7.6794 116.2549 55.4497 29.4755 175.0827 69 C 4.8520 7.4310 118.6451 58.3282 30.0294 173.4573 70 H 4.6710 8.9409 118.9526 56.5747 29.9595 174.6656 71 I 4.9106 7.5241 120.4981 59.3384 40.4059 174.2141 72 L 4.9646 8.9653 126.7521 52.8611 44.9699 175.4173 73 I 4.8973 8.5228 125.0365 59.6240 39.7426 174.8206 74 F 4.8452 9.5207 127.6864 56.3033 40.3539 174.8552 75 A 5.2712 8.9557 127.1641 50.3529 21.2874 174.9928 76 T 4.9371 9.0244 117.2939 59.8624 71.3469 171.5895 77 P 4.8784 0.0000 0.0000 62.1303 32.8362 175.2616 78 I 4.4137 8.4144 122.3598 60.1940 38.4269 175.0837 79 Y 4.7823 8.5167 125.2516 57.0257 40.0140 176.1656 80 W 3.2882 8.8615 125.8232 57.9760 26.7487 174.3590 81 F 3.8746 7.6445 109.4955 58.2340 36.5805 175.6470 82 G 4.0693 7.8782 109.9071 44.6945 0.0000 172.3082 83 M 4.4742 8.2447 117.6242 53.8845 33.0738 176.1987 84 S 4.2664 8.3548 113.9713 58.0117 65.0256 175.3773 85 G 3.7102 8.9119 109.2993 48.2174 0.0000 176.2277 86 T 3.9521 7.9488 117.5801 66.5275 68.5290 176.4068 87 L 4.1501 8.1424 122.3201 57.7528 42.0393 178.8036 88 K 3.7845 8.2147 119.7454 59.6333 32.1455 178.7998 89 L 3.9463 8.1531 119.2511 57.5414 41.2176 179.4719 90 F 4.3079 7.8546 119.4579 61.5764 39.7605 177.0985 91 I 2.0892 7.7919 119.5117 63.7800 36.6885 178.1388 92 D 4.1871 8.0174 119.9491 57.2477 40.6102 178.6041 93 R 3.9046 7.6637 118.0257 58.1911 29.8890 178.2837 94 W 4.3718 8.1091 118.7984 60.0888 28.7150 178.3029 95 S 4.2678 7.9799 114.8198 61.6608 62.4849 176.3455 96 Q 4.1537 8.2136 120.9096 59.2491 28.4921 178.7740 97 T 3.8640 7.7449 116.2875 66.3370 68.2297 176.3153 98 L 4.4651 8.3222 120.0126 56.5484 41.6519 177.8608 99 R 4.5509 7.5762 115.9001 55.5171 31.4619 174.7163 100 D 4.6651 8.1766 120.2784 52.5066 41.1384 175.4128 101 P 4.3792 0.0000 0.0000 65.4153 31.4150 177.7599 102 R 3.9138 8.4112 117.6081 57.9417 30.9799 176.4987 103 F 5.0148 8.0009 116.4440 55.2617 39.1775 174.3725 104 P 4.3982 0.0000 0.0000 65.2688 31.8005 177.4779 105 D 4.9523 8.0640 117.6287 53.9678 41.6836 177.3747 106 F 4.1662 8.3923 123.2472 61.6047 39.1867 177.0625 107 K 3.5303 8.0689 118.2117 59.4807 31.8453 178.2258 108 Q 3.8856 7.8925 117.7634 59.3121 29.4695 177.7599 109 Q 4.0858 8.4161 119.3686 59.3044 28.6590 178.8275 110 M 3.9490 7.8464 119.9868 58.1582 31.6705 178.8104 111 S 4.0320 7.7714 113.4857 61.1491 62.9425 176.0838 112 V 4.0383 6.9859 112.2085 60.5283 31.8757 175.8793 113 K 4.6376 7.5472 119.7537 55.5554 34.3993 175.4277 114 Q 4.6595 8.7991 121.4225 54.4059 30.7789 174.6221 115 A 5.1357 8.6642 125.9404 50.3881 21.8783 174.9314 116 Y 5.4294 8.9295 117.2952 56.3525 42.9772 174.5931 117 V 5.0063 9.0639 120.6450 61.3126 35.3228 174.3132 118 I 5.1051 9.0714 127.6213 59.5502 40.5351 174.3067 119 A 5.7846 9.2116 128.4434 49.1246 22.5689 174.7230 120 V 4.9075 8.3927 121.4296 61.2862 35.2453 174.4770 121 G 4.2676 8.8581 112.8107 45.6272 0.0000 173.3978 122 G 4.1612 8.5445 106.0922 45.0907 0.0000 173.9546 123 D 4.5956 7.5331 119.9194 53.3460 41.4250 174.9204 124 N 4.1297 8.2973 127.2387 53.0068 37.9065 173.3619 125 P 4.4432 0.0000 0.0000 65.9607 31.8916 179.1474 126 K 4.1026 8.1442 117.0344 58.5579 32.4603 178.0595 127 I 4.2842 7.8114 118.3694 63.1611 38.1682 177.6935 128 K 4.3793 8.4978 116.8425 57.8062 32.4354 178.4505 129 G 4.0788 8.0653 105.9310 44.8127 0.0000 175.5458 130 L 4.0333 7.7348 122.8827 57.2323 41.5396 177.5255 131 P 4.4091 0.0000 0.0000 65.4497 31.2805 178.3143 132 L 4.1209 7.8059 120.0541 57.7027 41.9946 178.9654 133 I 3.9163 7.6443 119.4204 64.5057 36.9757 178.4708 134 Q 3.9769 8.1728 118.9991 58.8727 28.4549 178.7798 135 Q 3.8915 8.1397 119.3264 58.9435 28.7440 178.7538 136 F 3.5732 7.9093 118.7282 60.2231 38.7483 177.2397 137 E 4.1299 8.3761 119.0399 59.7821 29.3957 178.7235 138 H 4.3432 8.0624 116.1609 58.7326 28.6255 177.8153 139 I 3.6315 7.8489 122.0184 64.5086 36.8652 178.5417 140 F 4.6143 8.0421 118.8579 60.9565 38.7958 177.2413 141 H 4.1998 8.7692 118.2096 59.2856 29.4282 177.0707 142 F 4.1436 8.4384 121.7486 61.2819 39.3462 176.2945 143 M 4.2636 7.9819 115.7795 55.2561 32.1303 177.3133 144 G 3.8517 7.6746 107.0913 45.6450 0.0000 173.3585 145 M 4.3307 7.9710 119.2884 54.4944 33.1793 176.1437 146 S 4.2180 8.2726 117.1160 58.2525 63.6819 172.9881 147 F 4.9343 8.9074 130.7316 57.3496 37.8951 175.0129 148 K 3.9834 8.8707 125.7943 57.2532 32.6802 177.3203 149 G 4.2150 7.3129 108.3185 46.5270 0.0000 171.1874 150 Y 5.6415 7.5637 117.2350 55.7590 41.4089 174.2980 151 V 4.5028 9.1571 119.8316 61.3572 35.1047 173.7446 152 L 5.1668 8.9700 127.7576 53.1272 43.5262 176.0011 153 G 4.3035 9.2748 111.1975 44.4167 0.0000 171.3387 154 E 5.1608 9.3030 121.7286 54.6462 31.7054 175.6877 155 G 3.8613 8.7124 107.9784 46.2263 0.0000 172.3829 156 N 4.7060 9.4063 124.2487 54.9220 40.1761 174.8706 157 R 4.7381 8.3793 116.1358 52.9775 33.3572 173.3419 158 P 4.3524 0.0000 0.0000 64.7440 31.8887 176.6160 159 G 4.1164 9.0992 110.3057 46.1188 0.0000 175.1767 160 D 4.3934 8.1091 119.5377 57.3463 40.6780 178.5333 161 I 4.0200 7.9102 120.1838 63.1093 37.7097 177.4562 162 L 4.1600 7.7029 118.5170 56.6639 41.4952 178.4775 163 R 4.1985 7.7966 117.0421 56.6283 31.8108 177.2305 164 D 4.5993 7.6228 120.1890 53.0367 38.8236 175.8480 165 H 4.2340 7.9692 121.2515 58.2680 29.1782 176.6532 166 Q 3.9525 8.0862 120.7817 59.2189 28.9144 178.0962 167 A 4.0305 8.3530 121.7904 55.0462 18.3413 179.6060 168 L 3.9222 8.0268 117.6346 57.8766 41.6852 179.7402 169 S 4.0377 8.2158 112.8408 61.3572 62.2745 176.0003 170 A 3.9456 8.1192 123.2789 55.1666 18.0930 179.5180 171 A 3.8865 8.3329 119.5960 55.1744 18.2141 179.6273 172 S 4.2678 7.9438 112.2580 60.6195 62.7772 175.8456 173 R 4.3665 7.8298 118.1381 55.6029 30.0021 177.7173 174 L 3.7689 7.0586 121.9319 57.9641 41.9069 177.8767 175 L 4.2608 7.4141 113.6411 54.2081 42.1521 176.5373 176 K 4.3923 7.7064 119.4650 56.1808 32.6677 176.9769 177 R 4.5955 8.6456 120.3204 55.7177 30.8960 174.9230 178 S 4.8679 7.8013 111.8927 56.4887 66.5581 172.0139 179 D 4.6349 8.4934 117.8474 54.0643 42.9745 176.2847 180 A 4.1637 8.3499 129.2730 53.1007 19.0760 176.8562 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 2 K 8.16 4.56 0.00 1.81 2.04 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.49 7.81 3 I 7.62 4.95 1.74 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 1.29 0.80 0.85 0.00 0.00 4 A 9.00 5.00 1.09 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 5 V 8.57 4.29 1.78 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 0.85 0.00 0.00 0.71 0.00 0.00 6 I 8.68 4.34 1.39 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.26 0.65 0.00 0.00 7 N 8.99 4.94 0.00 2.33 2.45 0.00 0.00 6.78 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.37 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 9 G 8.88 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 0.00 0.00 0.00 0.00 10 T 8.45 4.76 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 11 R 8.05 3.70 0.00 0.67 1.42 0.00 2.81 0.00 0.00 3.03 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 12 S 8.33 4.47 0.00 3.94 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 13 G 8.33 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 0.00 0.00 0.00 14 G 7.85 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 0.00 0.00 0.00 0.00 15 N 8.67 4.32 0.00 2.76 2.91 0.00 0.00 6.85 7.05 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 16 T 7.88 3.93 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 1.21 0.00 0.00 17 D 8.09 4.50 0.00 2.89 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 18 V 8.08 3.58 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 1.00 0.00 0.00 0.98 0.00 0.00 19 L 7.67 3.94 0.00 1.85 1.69 0.99 1.10 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 20 A 8.18 4.09 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 21 E 8.45 3.94 0.00 2.22 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 0.00 2.33 2.39 0.00 22 K 8.09 3.94 0.00 2.19 1.78 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.51 7.81 23 A 7.55 4.74 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 24 V 7.27 3.92 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 0.54 0.00 0.00 0.97 0.00 0.00 25 Q 7.31 4.23 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 26 G 9.14 3.94 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 0.00 0.00 0.00 27 F 8.41 4.24 0.00 3.16 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 28 D 8.17 4.28 0.00 2.77 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 29 A 7.55 4.51 1.16 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 0.00 0.00 30 E 8.79 4.33 0.00 1.87 1.85 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 2.29 2.40 0.00 31 H 8.86 4.78 0.00 3.02 2.95 0.00 5.86 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 32 I 8.39 4.20 1.75 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 1.15 0.58 0.75 0.00 0.00 33 Y 8.45 4.88 0.00 2.87 2.93 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 34 L 8.22 3.93 0.00 1.55 1.62 0.75 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *58 D 8.54 4.56 0.00 2.91 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 59 Y 8.54 4.21 0.00 3.23 3.13 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 60 D 8.38 4.39 0.00 2.88 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 61 S 8.11 4.18 0.00 3.94 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 62 I 7.83 3.71 2.03 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 1.48 0.67 0.84 0.00 0.00 63 I 7.68 3.61 1.41 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.09 0.06 0.00 0.00 64 E 7.95 4.12 0.00 2.22 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 2.64 2.83 0.00 65 R 8.05 4.10 0.00 2.01 1.97 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 66 I 8.02 3.77 1.90 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.84 0.97 0.00 0.00 67 L 7.98 4.10 0.00 1.91 1.84 1.17 0.84 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 68 Q 7.68 4.32 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 69 C 7.43 4.85 0.00 3.04 2.90 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 0.00 0.00 0.00 70 H 8.94 4.67 0.00 3.27 3.53 0.00 5.39 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 71 I 7.52 4.91 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.30 0.94 0.00 0.00 72 L 8.97 4.96 0.00 1.57 1.22 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.52 4.90 1.73 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 1.18 0.79 0.87 0.00 0.00 74 F 9.52 4.85 0.00 2.82 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 75 A 8.96 5.27 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 76 T 9.02 4.94 4.34 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 1.35 0.00 0.00 77 P 0.00 4.88 0.00 1.91 1.98 0.00 3.26 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.66 0.00 78 I 8.41 4.41 1.82 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 1.25 0.59 0.92 0.00 0.00 79 Y 8.52 4.78 0.00 3.18 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 80 W 8.86 3.29 0.00 3.49 3.42 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 81 F 7.64 3.87 0.00 3.34 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 82 G 7.88 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 83 M 8.24 4.47 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 84 S 8.35 4.27 0.00 4.02 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.91 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 0.00 0.00 0.00 86 T 7.95 3.95 4.46 0.00 0.00 0.00 0.00 0.00 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 87 L 8.14 4.15 0.00 1.86 1.72 1.29 0.77 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 88 K 8.21 3.78 0.00 1.92 1.97 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 89 L 8.15 3.95 0.00 1.92 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 F 7.85 4.31 0.00 3.12 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 91 I 7.79 2.09 1.42 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.25 0.14 0.00 0.00 92 D 8.02 4.19 0.00 2.78 2.61 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 93 R 7.66 3.90 0.00 1.71 1.70 0.00 2.60 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.26 0.00 94 W 8.11 4.37 0.00 3.57 3.38 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 95 S 7.98 4.27 0.00 3.96 3.94 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 96 Q 8.21 4.15 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 97 T 7.74 3.86 3.58 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 -0.18 0.00 0.00 98 L 8.32 4.47 0.00 1.90 1.89 1.26 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.58 4.55 0.00 1.81 1.93 0.00 3.19 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 100 D 8.18 4.67 0.00 2.97 2.85 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 0.00 101 P 0.00 4.38 0.00 2.21 2.19 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 102 R 8.41 3.91 0.00 1.56 1.56 0.00 3.01 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 103 F 8.00 5.01 0.00 3.01 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 0.00 104 P 0.00 4.40 0.00 2.21 2.23 0.00 3.81 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 2.03 2.01 0.00 105 D 8.06 4.95 0.00 2.75 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 0.00 106 F 8.39 4.17 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 107 K 8.07 3.53 0.00 1.86 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.63 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.37 1.37 7.81 108 Q 7.89 3.89 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 109 Q 8.42 4.09 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 110 M 7.85 3.95 0.00 1.60 1.66 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.75 0.00 111 S 7.77 4.03 0.00 3.95 4.11 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 0.00 0.00 0.00 0.00 112 V 6.99 4.04 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 0.74 0.00 0.00 0.96 0.00 0.00 113 K 7.55 4.64 0.00 1.72 1.76 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.61 7.81 114 Q 8.80 4.66 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 115 A 8.66 5.14 0.20 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 0.00 116 Y 8.93 5.43 0.00 2.87 2.85 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 0.00 117 V 9.06 5.01 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 0.90 0.00 0.00 0.25 0.00 0.00 118 I 9.07 5.11 1.90 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 1.19 0.73 0.93 0.00 0.00 119 A 9.21 5.78 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 0.00 120 V 8.39 4.91 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 1.04 0.00 0.00 0.95 0.00 0.00 121 G 8.86 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 0.00 0.00 0.00 0.00 122 G 8.54 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 0.00 0.00 0.00 123 D 7.53 4.60 0.00 2.44 2.40 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 0.00 124 N 8.30 4.13 0.00 2.95 2.85 0.00 0.00 6.80 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 0.00 125 P 0.00 4.44 0.00 2.30 2.32 0.00 3.78 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 2.11 2.31 0.00 126 K 8.14 4.10 0.00 1.81 1.98 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.51 7.81 127 I 7.81 4.28 1.91 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 1.67 1.59 0.93 0.00 0.00 128 K 8.50 4.38 0.00 2.14 2.12 0.00 2.12 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.61 7.81 129 G 8.07 4.08 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 0.00 0.00 0.00 130 L 7.73 4.03 0.00 1.66 1.73 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.41 0.00 2.17 2.08 0.00 3.81 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 2.09 2.13 0.00 132 L 7.81 4.12 0.00 1.95 1.94 0.66 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.64 3.92 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.18 0.39 0.00 0.00 134 Q 8.17 3.98 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 135 Q 8.14 3.89 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 136 F 7.91 3.57 0.00 2.99 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 0.00 0.00 0.00 0.00 137 E 8.38 4.13 0.00 2.40 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 0.00 2.71 2.67 0.00 138 H 8.06 4.34 0.00 3.31 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.85 3.63 1.40 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.27 0.72 0.00 0.00 140 F 8.04 4.61 0.00 2.97 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 0.00 141 H 8.77 4.20 0.00 3.48 3.61 0.00 5.79 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 0.00 142 F 8.44 4.14 0.00 3.17 3.34 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 0.00 143 M 7.98 4.26 0.00 1.96 2.35 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.24 0.00 144 G 7.67 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 0.00 145 M 7.97 4.33 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 146 S 8.27 4.22 0.00 3.94 3.69 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 0.00 147 F 8.91 4.93 0.00 3.17 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 0.00 148 K 8.87 3.98 0.00 0.79 1.53 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.30 7.81 149 G 7.31 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 0.00 0.00 0.00 0.00 150 Y 7.56 5.64 0.00 3.14 3.12 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 0.00 151 V 9.16 4.50 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 1.07 0.00 0.00 0.92 0.00 0.00 152 L 8.97 5.17 0.00 1.68 1.66 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 153 G 9.27 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 0.00 0.00 0.00 0.00 154 E 9.30 5.16 0.00 1.89 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 2.27 2.37 0.00 155 G 8.71 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 0.00 0.00 0.00 156 N 9.41 4.71 0.00 2.65 2.97 0.00 0.00 7.01 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 0.00 157 R 8.38 4.74 0.00 1.79 1.77 0.00 3.36 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 158 P 0.00 4.35 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 159 G 9.10 4.12 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 0.00 160 D 8.11 4.39 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.91 4.02 1.95 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 1.54 1.63 1.01 0.00 0.00 162 L 7.70 4.16 0.00 1.79 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.80 4.20 0.00 1.82 1.94 0.00 3.31 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 1.73 1.75 0.00 164 D 7.62 4.60 0.00 2.70 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 0.00 165 H 7.97 4.23 0.00 3.23 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.09 3.95 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 167 A 8.35 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 0.00 168 L 8.03 3.92 0.00 1.88 1.75 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 169 S 8.22 4.04 0.00 3.91 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 0.00 170 A 8.12 3.95 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 0.00 171 A 8.33 3.89 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 0.00 172 S 7.94 4.27 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 0.00 173 R 7.83 4.37 0.00 1.86 1.91 0.00 3.37 0.00 0.00 3.09 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 174 L 7.06 3.77 0.00 1.63 1.46 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.41 4.26 0.00 1.20 1.29 -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 176 K 7.71 4.39 0.00 1.79 1.77 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.59 7.81 177 R 8.65 4.60 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 178 S 7.80 4.87 0.00 3.92 3.82 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 0.00 179 D 8.49 4.63 0.00 2.64 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 0.00 180 A 8.35 4.16 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 * Residues marked with a * may have inaccurate shift predictions.