NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.3547 8.0433 120.6283 54.1176 42.5264 178.3712 32 E 3.8150 8.0808 120.2092 58.9912 28.3326 175.4354 33 E 4.0578 8.9228 118.6817 58.5482 29.9268 178.5364 34 Q 4.4307 7.4156 118.0245 58.0611 28.7669 176.9688 35 L 4.5268 7.5598 117.7999 54.7705 41.9961 176.8488 36 N 4.7907 7.6756 117.4466 55.1960 40.0377 176.2096 37 K 4.1410 7.3210 118.1815 57.9723 32.1621 178.0830 38 S 4.1274 7.8166 114.9890 61.4894 63.1592 176.0970 39 L 4.0881 8.4478 122.2377 57.2712 41.7560 178.9341 40 K 4.1277 7.9078 118.4370 58.7296 32.2048 178.4786 41 T 4.0165 7.2535 115.6191 66.3026 68.7157 177.0077 42 I 3.9805 7.6409 121.3163 64.0086 36.8286 177.8089 43 A 4.1270 8.1221 120.5371 53.6184 18.1451 179.3705 44 S 4.0240 7.2846 110.4718 61.2325 62.6423 176.0892 45 Q 3.9668 7.9759 120.7128 58.9128 28.0995 178.8497 46 K 4.0068 8.4490 120.4781 59.0225 32.1408 178.5464 47 A 4.0898 7.5145 120.9866 54.8059 18.4901 179.1310 48 A 3.9961 8.1721 118.6447 55.2871 18.5372 179.6409 49 I 3.8041 7.6225 116.7771 64.3475 38.0541 177.5626 50 E 3.9864 7.7934 119.0290 59.9747 29.4083 179.4938 51 N 3.8727 8.3300 115.6370 55.9930 38.5474 176.4602 52 Y 4.1441 8.3622 121.0074 59.5618 38.9182 176.5807 53 N 4.6318 8.0322 116.6253 55.1314 39.5366 176.8978 54 Q 3.9282 8.9985 122.4575 59.0723 29.1309 178.1918 55 L 3.8645 7.6629 120.7632 58.0046 41.4291 178.7503 56 K 3.9037 7.8759 119.4227 59.2354 31.5119 178.3315 57 E 4.1955 8.3044 119.7607 58.8662 29.5459 178.0712 58 D 4.5488 7.4500 117.2890 56.2751 41.0583 177.5018 59 Y 4.3348 8.1801 119.2612 59.2075 38.6463 176.6037 60 N 4.3215 7.4432 116.3919 55.8759 40.2099 176.7260 61 T 4.0298 7.3921 115.8118 66.5267 67.9086 175.9790 62 L 4.0199 7.6759 121.4916 57.2590 42.0663 178.1499 63 K 3.9793 7.0146 117.8525 58.5678 32.1515 177.9925 64 R 4.1420 8.3140 119.1822 58.1719 30.3618 177.9407 65 E 3.7035 8.2063 118.9245 59.9438 29.5062 179.7185 66 L 4.0091 7.3745 118.3466 57.8063 42.2479 178.5445 67 S 4.2379 9.0886 114.5443 61.2067 62.1926 175.8028 68 D 4.3715 7.9406 121.2360 56.9614 40.5256 178.1729 69 R 4.2747 7.9426 117.3627 57.7257 28.9232 177.5123 70 D 4.6620 7.7257 117.8950 55.2371 41.0066 177.2867 71 D 4.7864 7.5147 118.4022 55.7111 41.7212 178.5785 72 E 3.9278 7.9533 118.8271 59.4149 29.4755 179.2403 73 V 3.6270 7.3358 116.5437 65.7423 31.8806 176.7810 74 K 4.1599 7.5332 118.5646 58.4050 31.9837 178.4721 75 R 4.0142 8.5973 115.7651 59.5129 29.6115 178.9257 76 L 3.9821 8.0829 120.1783 57.4045 41.5042 179.3587 77 R 4.2001 7.4459 113.1020 57.5854 29.7804 177.4263 78 E 4.5573 8.7113 118.5594 56.5188 30.6451 176.9296 79 D 4.5709 8.1210 118.1748 55.2146 41.2643 178.4516 80 I 3.7621 7.4947 120.2758 63.8907 37.8830 177.6823 81 A 4.1965 7.9500 120.6439 54.4221 18.0882 179.4153 82 K 3.8650 7.5074 119.0471 59.6655 32.3287 178.8358 83 E 3.9333 7.6958 118.4088 59.3858 29.4511 178.8437 84 N 4.2970 8.4803 117.0042 56.5521 38.8582 176.6145 85 E 4.2743 8.0732 118.2523 57.4632 29.9791 177.8272 86 L 4.1151 7.6995 120.3721 58.3251 42.3788 178.4775 87 R 4.1051 8.7206 118.0607 58.6734 29.9836 179.1213 88 T 3.9119 7.3933 114.9564 66.5537 68.5111 176.8599 89 K 4.0978 7.7552 119.1375 58.7337 31.5804 179.4882 90 A 3.9815 7.7781 121.2311 55.2760 18.2136 179.5503 91 E 4.0549 8.6734 117.0826 58.7865 29.2229 179.3174 92 E 3.9842 7.7870 119.2350 59.1678 30.1153 177.9034 93 E 4.0004 8.2698 119.0656 59.3617 29.7660 178.3007 94 A 3.9791 7.6760 119.5490 55.4715 18.4858 178.9277 95 D 4.3044 7.7685 114.8376 57.5509 41.1557 178.8324 96 K 4.0622 8.1036 118.8366 59.2247 31.9737 178.9317 97 L 3.9266 7.8874 120.0466 58.4254 41.9060 178.5663 98 N 4.3576 8.3817 114.5951 55.2657 38.2871 176.1496 99 K 4.6716 7.5647 116.8326 56.0571 33.9150 177.4868 100 E 3.8880 8.3602 120.3899 58.4519 29.6999 178.3203 101 V 3.5566 8.0362 118.8331 66.0484 31.6806 177.6420 102 E 3.9713 8.2901 116.8388 59.7849 28.9221 178.7771 103 D 4.2829 7.5860 119.1806 57.2410 40.6293 178.2882 104 L 3.9698 8.3391 121.3879 58.2908 41.8642 179.0401 105 T 4.0860 8.3805 109.6554 64.2488 69.1400 176.8958 106 A 4.0130 8.2940 123.2993 54.2667 18.0278 179.0650 107 S 4.4555 8.4962 113.3760 59.9126 63.1220 176.0414 108 L 3.9278 7.3680 122.0936 57.5216 41.4880 178.0407 109 F 4.2712 8.6591 121.4291 61.0546 39.3822 176.5364 110 D 4.7992 8.3646 118.1973 57.8185 40.3562 178.7965 111 E 4.1145 7.8808 116.5149 57.7026 29.4250 178.6260 112 A 4.0755 9.0091 122.1025 54.6305 19.2480 179.3010 113 N 4.2584 7.5715 114.4529 56.2912 38.7115 177.1792 114 N 4.2696 8.2528 118.1741 56.1201 38.6011 176.8463 115 L 4.2236 7.4714 120.3221 57.0860 42.3402 179.1382 116 V 3.5177 8.1799 112.8010 64.4397 31.3227 178.4098 117 A 3.9803 7.5534 118.5318 54.8693 18.2275 178.4794 118 D 4.3942 7.3487 114.4796 57.6930 41.4137 178.2559 119 A 4.4120 7.7407 120.0481 54.4442 18.6163 180.2859 120 R 3.6764 7.5976 114.2660 56.7681 30.1359 178.4874 *122 E 4.0327 8.2052 119.4191 56.2138 31.7817 177.7230 123 K 3.7510 8.4188 120.6672 59.8178 32.1337 178.4606 124 Y 4.2139 6.9448 116.0747 60.8052 37.6760 178.5161 125 A 4.0034 7.8710 121.6477 55.3268 18.7511 179.5239 126 I 3.6831 7.9063 117.8655 64.4131 36.9456 178.3385 127 E 4.0922 9.1218 120.1716 58.5296 29.3203 178.3956 128 I 3.8612 7.4974 119.1948 63.4272 37.6033 177.8508 129 L 3.9544 7.8605 120.0430 58.0237 41.4624 179.3463 130 N 4.3744 8.1704 116.0498 55.8651 38.3696 177.7524 131 K 3.9765 7.5034 119.7653 59.3945 32.4631 179.3949 132 R 3.9493 8.8311 119.7289 58.7649 29.6504 177.6835 133 L 4.2630 8.0809 119.5717 57.0287 42.1340 178.5254 134 T 3.8819 7.6801 115.4473 66.5272 68.6141 175.8087 135 E 4.2334 8.2634 120.1495 58.7184 29.6339 178.4085 136 Q 4.1905 7.9537 118.1722 57.7573 29.0858 176.5081 137 L 4.6846 7.2881 117.4827 54.9737 42.4622 177.0783 138 R 4.3006 8.2420 120.4726 57.8374 30.7991 177.7728 139 E 4.4355 8.0925 114.5843 56.5959 29.3909 176.5847 140 K 4.5139 7.7479 117.7778 56.1809 33.5150 175.5934 141 D 4.7585 7.7935 117.2240 55.2606 40.8876 177.7528 *143 L 4.3660 7.8290 117.6020 54.0472 43.4813 176.7057 144 L 4.3136 7.6492 125.8611 55.1484 42.3236 175.6701 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 31 L 8.04 4.35 0.00 1.72 1.77 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.08 3.82 0.00 2.09 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 2.40 2.46 0.00 33 E 8.92 4.06 0.00 1.97 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 2.40 2.34 0.00 34 Q 7.42 4.43 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 35 L 7.56 4.53 0.00 1.64 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.68 4.79 0.00 2.75 2.75 0.00 0.00 6.85 6.61 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 37 K 7.32 4.14 0.00 2.04 1.77 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 38 S 7.82 4.13 0.00 3.90 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 39 L 8.45 4.09 0.00 1.67 1.71 0.95 0.64 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 40 K 7.91 4.13 0.00 1.82 1.95 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 41 T 7.25 4.02 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 1.21 0.00 0.00 42 I 7.64 3.98 1.87 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 1.71 0.93 0.91 0.00 0.00 43 A 8.12 4.13 1.38 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 0.00 0.00 44 S 7.28 4.02 0.00 4.12 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 45 Q 7.98 3.97 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 46 K 8.45 4.01 0.00 1.84 1.88 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 47 A 7.51 4.09 1.41 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 0.00 0.00 48 A 8.17 4.00 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 49 I 7.62 3.80 1.90 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 1.55 1.59 0.95 0.00 0.00 50 E 7.79 3.99 0.00 2.24 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 2.36 2.59 0.00 51 N 8.33 3.87 0.00 2.80 2.89 0.00 0.00 6.72 7.01 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 52 Y 8.36 4.14 0.00 3.08 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 53 N 8.03 4.63 0.00 2.93 2.90 0.00 0.00 6.80 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 54 Q 9.00 3.93 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 55 L 7.66 3.86 0.00 1.73 1.55 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.88 3.90 0.00 1.49 1.73 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.33 7.81 57 E 8.30 4.20 0.00 2.22 1.97 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 2.31 2.36 0.00 58 D 7.45 4.55 0.00 2.91 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 59 Y 8.18 4.33 0.00 2.96 3.08 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 60 N 7.44 4.32 0.00 2.90 2.71 0.00 0.00 6.87 6.93 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 61 T 7.39 4.03 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 1.19 0.00 0.00 62 L 7.68 4.02 0.00 1.80 1.57 0.88 0.46 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 63 K 7.01 3.98 0.00 1.45 1.65 0.00 1.18 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.23 7.81 64 R 8.31 4.14 0.00 1.93 1.82 0.00 3.18 0.00 0.00 3.14 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 65 E 8.21 3.70 0.00 1.93 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 0.00 2.32 2.45 0.00 66 L 7.37 4.01 0.00 1.86 1.64 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.09 4.24 0.00 3.75 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 68 D 7.94 4.37 0.00 2.87 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 69 R 7.94 4.27 0.00 1.85 1.95 0.00 3.27 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 70 D 7.73 4.66 0.00 2.82 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 71 D 7.51 4.79 0.00 2.86 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 72 E 7.95 3.93 0.00 2.00 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 0.00 2.39 2.35 0.00 73 V 7.34 3.63 2.07 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 0.79 0.00 0.00 0.95 0.00 0.00 74 K 7.53 4.16 0.00 1.97 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.46 7.81 75 R 8.60 4.01 0.00 2.06 2.18 0.00 2.83 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 76 L 8.08 3.98 0.00 1.78 1.76 0.92 1.03 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 77 R 7.45 4.20 0.00 2.15 1.98 0.00 3.18 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 78 E 8.71 4.56 0.00 2.06 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 2.22 2.45 0.00 79 D 8.12 4.57 0.00 2.86 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 80 I 7.49 3.76 1.87 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 1.57 0.85 0.91 0.00 0.00 81 A 7.95 4.20 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 82 K 7.51 3.86 0.00 2.17 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 E 7.70 3.93 0.00 1.94 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 0.00 2.33 2.35 0.00 84 N 8.48 4.30 0.00 2.80 2.88 0.00 0.00 6.70 7.43 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 85 E 8.07 4.27 0.00 2.10 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 2.29 2.30 0.00 86 L 7.70 4.12 0.00 2.09 1.71 0.92 0.95 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 87 R 8.72 4.11 0.00 1.82 1.96 0.00 3.34 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 88 T 7.39 3.91 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 1.21 0.00 0.00 89 K 7.76 4.10 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 90 A 7.78 3.98 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 91 E 8.67 4.05 0.00 1.99 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 2.32 2.55 0.00 92 E 7.79 3.98 0.00 2.10 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 2.32 2.31 0.00 93 E 8.27 4.00 0.00 2.21 1.92 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 2.30 2.33 0.00 94 A 7.68 3.98 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 95 D 7.77 4.30 0.00 3.04 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 96 K 8.10 4.06 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 97 L 7.89 3.93 0.00 1.75 1.88 0.92 0.66 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 98 N 8.38 4.36 0.00 2.85 2.87 0.00 0.00 6.94 7.37 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 99 K 7.56 4.67 0.00 1.91 1.79 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.53 7.81 100 E 8.36 3.89 0.00 2.16 1.93 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 2.28 2.30 0.00 101 V 8.04 3.56 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 1.06 0.00 0.00 0.99 0.00 0.00 102 E 8.29 3.97 0.00 2.21 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 0.00 2.38 2.42 0.00 103 D 7.59 4.28 0.00 2.81 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 0.00 104 L 8.34 3.97 0.00 1.83 1.83 0.93 0.66 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 0.00 105 T 8.38 4.09 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 1.29 0.00 0.00 106 A 8.29 4.01 1.38 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 0.00 0.00 107 S 8.50 4.46 0.00 3.90 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 0.00 108 L 7.37 3.93 0.00 1.85 1.93 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.66 4.27 0.00 3.25 3.21 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 0.00 110 D 8.36 4.80 0.00 2.85 2.76 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 0.00 0.00 0.00 111 E 7.88 4.11 0.00 2.14 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 0.00 2.61 2.47 0.00 112 A 9.01 4.08 1.17 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 0.00 0.00 113 N 7.57 4.26 0.00 2.60 2.75 0.00 0.00 7.12 6.92 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 0.00 114 N 8.25 4.27 0.00 2.81 2.83 0.00 0.00 6.58 6.59 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 0.00 115 L 7.47 4.22 0.00 1.73 1.59 0.89 0.95 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 0.00 116 V 8.18 3.52 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 0.66 0.00 0.00 0.92 0.00 0.00 117 A 7.55 3.98 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 0.00 118 D 7.35 4.39 0.00 2.94 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 0.00 119 A 7.74 4.41 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 0.00 120 R 7.60 3.68 0.00 1.92 1.87 0.00 3.33 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 *122 E 8.21 4.03 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 2.46 2.23 0.00 123 K 8.42 3.75 0.00 1.63 1.42 0.00 1.46 0.00 0.00 1.25 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 1.35 7.81 124 Y 6.94 4.21 0.00 3.13 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 0.00 125 A 7.87 4.00 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 0.00 126 I 7.91 3.68 1.86 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 1.40 1.25 0.91 0.00 0.00 127 E 9.12 4.09 0.00 2.08 2.15 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 2.39 2.40 0.00 128 I 7.50 3.86 2.18 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 1.55 0.98 0.93 0.00 0.00 129 L 7.86 3.95 0.00 1.88 1.72 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.17 4.37 0.00 2.97 2.88 0.00 0.00 7.08 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 0.00 131 K 7.50 3.98 0.00 2.01 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.71 7.81 132 R 8.83 3.95 0.00 1.81 2.02 0.00 3.08 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 133 L 8.08 4.26 0.00 1.98 1.83 0.97 0.64 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 0.00 134 T 7.68 3.88 4.44 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 1.21 0.00 0.00 135 E 8.26 4.23 0.00 2.03 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 0.00 2.30 2.50 0.00 136 Q 7.95 4.19 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 137 L 7.29 4.68 0.00 1.66 1.63 0.92 0.82 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 0.00 138 R 8.24 4.30 0.00 1.96 1.96 0.00 3.12 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 139 E 8.09 4.44 0.00 1.96 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 0.00 2.31 2.29 0.00 140 K 7.75 4.51 0.00 1.66 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.41 7.81 141 D 7.79 4.76 0.00 2.82 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 *143 L 7.83 4.37 0.00 1.66 1.76 0.98 0.91 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 0.00 144 L 7.65 4.31 0.00 1.49 1.46 0.92 1.33 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 * Residues marked with a * may have inaccurate shift predictions.