NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 3.9622 8.2993 119.9849 56.5486 33.8369 174.8019 12 F 4.6598 7.7580 115.6331 55.2262 38.6051 173.8536 13 R 4.3853 9.5375 124.3256 56.8671 30.4084 181.3734 14 V 2.6501 6.9866 113.3902 60.7192 34.2269 175.4531 15 R 3.7007 7.8519 118.9874 56.6497 28.1516 177.4825 16 N 4.3958 8.2097 116.2707 56.1122 39.5323 177.4463 17 R 4.0791 7.4641 118.2151 56.4340 30.0660 177.9867 18 I 2.8309 8.3795 115.3955 61.9936 38.1868 174.2141 19 K 4.3734 8.6440 120.9412 56.3357 32.1247 176.0553 20 R 4.5252 7.8772 116.8275 54.5244 30.9137 175.7065 21 T 4.5254 8.4486 119.0546 63.5961 71.0464 174.6186 22 G 3.8256 8.0235 109.6521 46.3496 0.0000 174.2813 23 R 3.3279 8.5923 118.8203 55.7539 29.2799 174.9461 24 L 3.5343 8.1269 116.2309 55.6241 39.0659 173.2990 25 R 4.6127 8.5261 123.4887 53.8754 32.3117 175.8498 26 L 4.5806 7.6449 129.8971 53.7529 40.0297 175.8599 27 S 4.6985 8.3414 116.8456 58.5841 64.0289 174.9977 28 V 4.5599 8.0416 129.1169 63.1642 33.0273 175.1480 29 F 5.6970 8.1934 133.5120 58.7480 40.9979 173.0590 30 R 4.5886 8.0692 129.0235 54.8115 31.8166 175.4483 31 S 4.3602 8.0678 127.8244 58.5630 60.8699 174.4489 32 L 4.8058 8.0900 118.8904 53.5200 42.7775 175.1735 33 K 4.5130 7.4425 121.9400 56.7007 39.2965 175.1532 34 H 5.3941 7.8677 114.7185 52.8392 32.7297 172.5909 35 I 5.0189 8.3906 121.7380 59.5250 40.6151 173.5027 36 Y 5.1491 9.7028 126.5322 56.2299 41.3582 174.5488 37 A 5.1178 8.6078 123.9444 50.5705 23.1472 175.0204 38 Q 4.9122 8.8809 120.0415 55.1923 33.3786 173.2636 39 I 4.7216 8.7950 128.1702 60.6062 38.6735 174.9304 40 I 4.9735 8.9073 127.9572 59.4055 41.2521 173.9348 41 D 5.0879 9.1398 125.5762 52.8914 43.2463 176.1763 42 D 4.8249 8.5454 126.0969 53.9263 42.8443 177.0532 43 E 4.3322 9.2135 118.9423 57.4931 28.6263 175.7437 44 K 4.5174 8.2961 116.9370 54.3014 33.2048 174.1202 45 G 4.1089 7.5108 106.8836 45.4756 0.0000 170.6181 46 V 4.5748 8.4057 124.9182 61.9689 35.6005 171.9270 47 T 4.7020 8.5358 121.4098 62.1719 70.9722 171.9424 48 L 4.6475 8.8355 120.3261 55.8114 44.0096 176.7652 49 V 4.2042 7.5679 118.5856 62.8629 33.5002 174.8089 50 S 4.9448 8.4256 119.0395 57.4054 66.1710 174.2901 51 A 4.6213 8.7736 124.1247 51.1576 20.9039 176.0668 52 S 4.0950 8.2308 116.5128 59.3342 64.4742 173.2733 53 S 4.0127 7.8449 115.1673 59.3685 61.5333 174.8335 54 L 4.2906 7.9685 122.2896 55.3222 42.7887 178.5148 55 A 4.2856 6.9752 118.6485 52.6692 17.5818 176.5827 56 L 4.5724 8.6107 117.0099 55.0742 45.6258 178.8292 57 K 4.4159 8.8580 121.9621 57.2294 32.4241 177.7465 58 L 3.1069 9.7905 110.1504 56.9097 42.8149 174.4356 59 K 4.3601 7.9513 124.4951 56.1599 33.9732 175.6558 60 G 4.0620 8.3857 113.7266 46.6706 0.0000 171.3662 61 N 4.7076 7.9920 119.7474 51.3134 38.9813 174.2783 62 K 3.6019 8.3744 123.6726 60.3133 32.4469 178.5903 63 T 3.8277 8.2220 113.0947 65.5661 68.9363 175.4294 64 E 4.0108 8.3940 121.9177 58.8844 29.9760 179.6668 65 V 3.2719 8.6113 117.9318 65.9073 31.5427 175.0845 66 A 4.4552 8.9166 128.1600 53.9626 16.4131 177.0413 67 R 5.0655 7.9851 126.1193 57.4084 28.4391 177.0088 68 Q 3.9020 7.6157 119.7633 58.8216 28.6541 179.4075 69 V 3.8977 8.1558 120.0896 63.6940 31.7740 178.4720 70 G 3.7687 7.7516 106.0571 47.1393 0.0000 175.6555 71 R 3.9219 9.1160 121.1177 59.1990 29.9958 178.4268 72 A 4.0081 7.6057 119.7087 55.6641 18.2260 179.6075 73 L 3.9502 7.4981 116.5639 57.8438 41.7188 178.9636 74 A 3.7569 8.3723 116.3229 56.4024 17.9491 178.9001 75 E 3.6889 7.3781 114.3687 58.7420 30.1060 180.3436 76 K 4.3983 8.0083 120.4741 60.0443 32.6969 177.9965 77 A 4.0593 9.3733 123.2923 53.6507 18.1906 179.6619 78 L 3.8772 8.8249 116.9790 57.4597 41.8547 179.6271 79 A 4.0682 8.1124 120.9442 54.6741 18.3524 178.8602 80 L 4.4404 8.3688 115.5887 55.7713 41.3279 176.4231 81 G 3.7863 8.0176 103.8473 48.1717 0.0000 174.4105 82 I 4.6746 7.0635 118.0608 59.3653 42.2611 175.0768 83 K 4.4220 8.8409 128.5734 56.3113 38.9071 176.3664 84 Q 4.0601 9.1293 111.6349 56.4599 30.0458 177.7119 85 V 4.4412 8.1183 114.9656 60.9625 36.4444 171.4739 86 A 5.0341 8.0037 121.5131 49.7570 20.8568 179.1650 87 F 5.0360 8.9400 122.9715 57.7503 39.7896 172.1400 88 D 4.3654 7.1601 114.3992 54.4497 45.5736 172.4367 89 R 3.5366 8.8705 123.5498 56.2699 30.8738 176.8114 90 G 3.4391 7.9644 114.6022 47.3278 0.0000 173.5789 91 P 4.0762 0.0000 0.0000 65.1291 31.3126 179.1544 92 Y 3.9645 7.8702 116.3755 59.0407 39.3642 175.7941 93 K 3.0910 7.5074 123.1803 54.8295 29.6205 170.7727 94 Y 4.1960 6.2359 119.8552 57.7835 39.3396 175.0081 95 H 4.0877 8.1683 133.6024 56.2527 33.3151 174.9371 96 G 3.6186 7.7968 101.9912 47.8453 0.0000 173.0873 97 R 3.8955 7.5569 117.3289 56.1245 29.8294 176.0831 98 V 4.3909 7.8431 118.5563 62.1510 34.2968 173.1776 99 K 4.5594 8.2369 121.4332 55.9330 33.3630 176.3386 100 A 4.2160 7.8141 124.7419 52.1837 16.7197 177.0259 101 L 4.5978 7.5584 120.2792 52.6570 45.7806 176.7601 102 A 4.2514 8.2045 125.1780 52.9128 19.9288 178.0171 103 E 3.6760 9.4251 120.9861 57.0744 26.6933 176.9928 104 G 3.8101 9.3880 108.6165 47.2114 0.0000 173.2363 105 A 4.5024 8.0289 126.3914 52.5980 19.1735 178.6261 106 R 4.7894 7.9889 119.0259 57.2045 30.5977 175.7779 107 E 3.6123 8.8118 119.9915 56.8837 30.2711 172.8742 108 G 3.4434 8.3691 105.6053 45.8284 0.0000 173.9058 *109 G 3.7078 7.6911 110.0917 45.7156 0.0000 172.0889 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 11 K 8.30 3.96 0.00 1.70 1.76 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.41 7.81 12 F 7.76 4.66 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.54 4.39 0.00 1.84 2.02 0.00 3.34 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 14 V 6.99 2.65 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 0.76 0.00 0.00 0.87 0.00 0.00 15 R 7.85 3.70 0.00 1.89 1.90 0.00 3.43 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 16 N 8.21 4.40 0.00 2.40 2.54 0.00 0.00 7.20 7.66 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 17 R 7.46 4.08 0.00 1.87 1.95 0.00 3.00 0.00 0.00 3.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 18 I 8.38 2.83 1.83 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 1.28 0.55 0.94 0.00 0.00 19 K 8.64 4.37 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 20 R 7.88 4.53 0.00 1.77 1.81 0.00 3.30 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 21 T 8.45 4.53 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 1.20 0.00 0.00 22 G 8.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.59 3.33 0.00 1.93 1.93 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 24 L 8.13 3.53 0.00 1.80 1.69 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.53 4.61 0.00 1.84 1.72 0.00 2.99 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 26 L 7.64 4.58 0.00 1.98 1.75 1.27 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.34 4.70 0.00 3.83 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 28 V 8.04 4.56 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 1.27 0.00 0.00 0.96 0.00 0.00 29 F 8.19 5.70 0.00 3.03 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 30 R 8.07 4.59 0.00 1.78 1.78 0.00 3.27 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 31 S 8.07 4.36 0.00 3.49 3.59 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 32 L 8.09 4.81 0.00 1.58 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.44 4.51 0.00 1.39 1.52 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 34 H 7.87 5.39 0.00 3.33 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.39 5.02 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.95 0.00 0.00 36 Y 9.70 5.15 0.00 2.94 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 37 A 8.61 5.12 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 38 Q 8.88 4.91 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 39 I 8.80 4.72 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.93 0.00 0.00 40 I 8.91 4.97 1.86 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 1.11 0.97 0.93 0.00 0.00 41 D 9.14 5.09 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.82 0.00 2.81 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 43 E 9.21 4.33 0.00 2.13 2.14 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 2.18 2.31 0.00 44 K 8.30 4.52 0.00 1.86 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 45 G 7.51 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 0.00 0.00 0.00 46 V 8.41 4.57 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 0.79 0.00 0.00 0.93 0.00 0.00 47 T 8.54 4.70 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 1.30 0.00 0.00 48 L 8.84 4.65 0.00 1.48 1.55 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.57 4.20 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 50 S 8.43 4.94 0.00 3.91 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 51 A 8.77 4.62 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 52 S 8.23 4.09 0.00 3.14 3.73 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 53 S 7.84 4.01 0.00 4.16 3.48 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 54 L 7.97 4.29 0.00 0.69 1.26 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.98 4.29 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 56 L 8.61 4.57 0.00 1.46 1.81 0.92 0.81 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 57 K 8.86 4.42 0.00 1.90 1.43 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.17 1.07 7.81 58 L 9.79 3.11 0.00 1.67 1.90 0.93 0.64 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 59 K 7.95 4.36 0.00 1.84 2.03 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.43 7.81 60 G 8.39 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 61 N 7.99 4.71 0.00 2.75 2.69 0.00 0.00 7.11 6.75 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 62 K 8.37 3.60 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.41 7.81 63 T 8.22 3.83 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 64 E 8.39 4.01 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 65 V 8.61 3.27 2.38 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 0.91 0.00 0.00 0.96 0.00 0.00 66 A 8.92 4.46 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 67 R 7.99 5.07 0.00 2.18 1.98 0.00 3.13 0.00 0.00 3.32 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.00 68 Q 7.62 3.90 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 69 V 8.16 3.90 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 0.92 0.00 0.00 1.02 0.00 0.00 70 G 7.75 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 0.00 0.00 0.00 71 R 9.12 3.92 0.00 1.80 2.01 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 72 A 7.61 4.01 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 73 L 7.50 3.95 0.00 1.91 1.78 1.01 0.88 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 74 A 8.37 3.76 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 75 E 7.38 3.69 0.00 2.05 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 2.35 2.40 0.00 76 K 8.01 4.40 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.69 7.81 77 A 9.37 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 78 L 8.82 3.88 0.00 1.82 1.74 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 4.07 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 80 L 8.37 4.44 0.00 1.71 1.76 0.94 0.90 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 81 G 8.02 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.06 4.67 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 1.31 1.54 0.93 0.00 0.00 83 K 8.84 4.42 0.00 1.74 1.43 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.43 7.81 84 Q 9.13 4.06 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 85 V 8.12 4.44 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 0.73 0.00 0.00 1.05 0.00 0.00 86 A 8.00 5.03 1.22 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 87 F 8.94 5.04 0.00 3.06 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 88 D 7.16 4.37 0.00 2.51 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 0.00 0.00 0.00 89 R 8.87 3.54 0.00 1.62 1.85 0.00 3.43 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 90 G 7.96 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.08 0.00 2.00 1.58 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 92 Y 7.87 3.96 0.00 3.15 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 93 K 7.51 3.09 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.35 7.81 94 Y 6.24 4.20 0.00 2.71 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 95 H 8.17 4.09 0.00 3.03 2.77 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.80 3.62 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 0.00 0.00 0.00 97 R 7.56 3.90 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 98 V 7.84 4.39 2.14 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 0.72 0.00 0.00 0.67 0.00 0.00 99 K 8.24 4.56 0.00 1.57 1.72 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.51 7.81 100 A 7.81 4.22 1.22 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 0.00 101 L 7.56 4.60 0.00 1.56 1.55 0.92 1.10 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 0.00 102 A 8.20 4.25 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 0.00 103 E 9.43 3.68 0.00 2.16 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 2.24 0.00 104 G 9.39 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 0.00 105 A 8.03 4.50 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 0.00 106 R 7.99 4.79 0.00 1.83 1.98 0.00 3.38 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 107 E 8.81 3.61 0.00 2.10 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 0.00 2.17 2.33 0.00 108 G 8.37 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 G 7.69 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 * Residues marked with a * may have inaccurate shift predictions.