NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1596 8.1127 120.8649 56.6697 30.0540 176.2398 3 V 2.7015 8.5175 123.4162 61.7951 31.5425 171.3418 4 K 4.7063 9.5456 120.7156 56.6279 33.8041 175.6941 5 M 4.3335 8.1168 119.0750 56.6989 32.4304 175.3717 6 H 4.9332 8.8148 116.6081 55.1293 30.8580 174.4032 7 V 2.8957 6.7196 109.2534 62.3874 32.4689 178.4279 8 K 4.6589 7.2980 121.7682 55.2558 35.8474 176.2736 9 K 4.4436 7.8305 123.0189 57.3348 35.1321 177.3904 10 G 4.0089 8.9482 105.7995 45.1814 0.0000 173.6448 11 D 4.7017 7.5752 121.2437 52.9175 41.6255 174.1044 12 T 4.7994 8.2991 114.9669 62.6581 70.5093 174.4466 13 V 4.7579 8.6458 117.9438 59.5240 36.8517 173.8608 14 L 4.9701 9.6308 124.0246 53.3389 44.5089 175.7831 15 V 4.2720 8.6704 126.0117 62.6757 32.9166 176.0240 16 A 4.7939 8.6382 125.2065 50.5316 21.3681 177.5321 17 S 4.6253 8.5107 110.1008 59.2347 64.0062 176.4112 18 G 3.9329 9.3340 107.2219 45.2020 0.0000 173.7290 19 K 3.6951 9.8002 120.6648 59.7225 32.9129 175.5753 20 Y 4.3139 8.2437 113.3501 57.1924 38.2050 174.7593 21 K 3.9858 8.3397 121.9742 58.2812 32.7234 174.3941 22 G 4.3059 8.7392 115.2467 45.7945 0.0000 174.5574 23 R 4.0868 7.8085 118.5634 56.2751 31.0844 176.3570 24 V 4.6238 8.3881 122.6034 61.8156 33.6474 174.6906 25 G 4.1914 9.0373 112.4673 44.6866 0.0000 172.4962 26 K 4.5857 8.3434 124.6864 55.6490 31.7501 176.3853 27 V 3.9833 8.6702 115.7648 62.7614 31.9847 176.9049 28 K 4.4249 7.8196 124.3523 57.6255 32.7505 176.9244 29 E 3.7466 7.7351 113.8220 57.6742 25.4167 175.3954 30 V 3.8984 7.4764 124.9520 62.3688 31.7601 174.1674 31 L 4.4065 7.6469 120.8043 54.2592 43.1715 175.3512 32 P 4.9303 0.0000 0.0000 62.4099 32.3576 177.0779 33 K 3.8458 8.4894 119.8149 60.5674 31.8381 178.3560 34 K 4.0853 8.0228 114.1018 56.5484 33.1973 175.7634 35 Y 3.2707 8.4519 120.2110 58.4408 36.9938 167.0492 36 A 5.2143 7.0292 122.7874 50.9400 23.8000 174.5452 37 V 4.7820 7.7481 112.3140 60.0441 33.1510 175.6437 38 I 4.5983 8.5887 120.0603 63.6789 46.2384 175.3872 39 V 3.1488 6.7381 119.9639 64.1979 31.6775 173.5943 40 E 4.6146 8.6850 113.9029 55.5420 31.8722 175.3149 41 G 3.5960 7.2031 109.7245 45.8871 0.0000 174.6604 42 V 2.3229 5.4500 109.2046 63.3775 28.7510 171.3314 43 N 5.4718 8.4019 122.4812 51.0169 40.9386 173.9597 44 I 4.7673 8.0540 122.7159 59.4429 41.3298 175.1664 45 V 4.0907 8.4948 125.2592 61.5130 32.5314 174.1251 46 K 4.6441 8.7454 124.8784 56.1990 30.7375 176.7321 47 K 4.1490 8.2398 124.3997 58.2159 36.7880 172.0169 48 A 3.5603 7.7666 126.9268 50.4350 18.9195 177.7221 49 V 5.2752 9.0165 129.7188 63.8985 34.9554 172.0524 50 R 3.7277 6.8598 115.4195 56.1909 31.6737 176.8995 51 V 4.0201 8.7353 130.7318 62.5333 31.3245 173.5874 52 S 4.8248 7.4770 111.1031 55.9597 64.8981 172.2211 53 P 4.4253 0.0000 0.0000 61.8608 30.5807 175.2405 54 K 3.6910 7.7884 120.0721 57.6700 33.0439 177.1383 55 Y 3.6283 7.7490 123.5447 56.3781 36.6119 167.1963 56 P 4.4576 0.0000 0.0000 66.1445 31.8830 176.0986 57 Q 4.5656 7.4146 114.8721 56.2150 32.8408 173.6127 58 G 3.9641 8.8978 107.1614 44.9203 0.0000 172.7688 59 G 4.1258 8.1541 108.9283 45.0444 0.0000 173.6984 60 F 5.7816 8.5658 120.4062 56.5301 41.3758 176.5177 61 I 3.6929 8.1292 121.1269 63.1779 36.4085 172.5453 62 E 3.5903 8.2444 128.1025 55.4061 27.6004 174.0326 63 K 4.2220 8.3560 123.0935 56.4003 33.1450 175.9210 64 E 4.4428 8.6472 119.2271 56.4741 30.5429 176.3213 65 A 4.2030 7.9155 123.1810 51.0723 20.9832 176.7867 66 P 3.0819 0.0000 0.0000 58.6102 32.6206 171.1615 67 L 3.6234 8.0027 127.7482 54.3870 43.3560 173.7088 68 H 4.3233 8.8112 125.3398 56.4633 30.0624 175.4973 69 A 3.9065 8.0736 127.6927 53.5799 18.0346 177.4697 70 S 4.6880 8.2514 112.2426 59.5859 64.0652 175.5867 71 K 4.2419 8.1491 119.6434 59.3129 32.7411 178.0906 72 V 4.5353 7.6980 111.3080 61.1464 32.4498 176.1533 73 R 4.7927 9.0181 121.0844 53.8493 34.8782 173.9441 74 P 4.6615 0.0000 0.0000 63.9972 31.9107 174.7708 75 I 4.4332 7.6358 117.1469 61.2832 40.3391 172.7402 76 C 4.5526 9.0189 124.1236 59.9307 34.2991 171.6150 77 P 4.0598 0.0000 0.0000 62.1506 29.2582 173.7207 78 A 4.7246 6.7669 124.8189 52.3568 21.3123 175.5319 79 C 4.7638 7.9476 112.2837 58.8505 28.9691 175.0550 80 G 3.5230 8.3472 104.6487 43.8882 0.0000 171.6796 81 K 3.4978 8.2445 118.2178 55.4805 31.2170 173.7895 82 P 4.5295 0.0000 0.0000 62.9732 31.2059 174.8039 83 T 4.8253 8.1143 111.4495 61.3659 70.7224 173.4906 84 R 4.8344 8.8842 122.8827 54.5500 35.3053 174.0301 85 V 4.5317 8.3374 119.1638 61.2613 33.8914 174.4977 86 R 4.6417 8.6844 127.4711 54.1967 31.7112 176.0690 87 K 3.8945 8.7015 121.5606 58.7073 32.9381 178.9466 88 K 3.5915 8.0043 119.1794 54.2806 30.3440 175.7016 89 F 3.7013 8.2834 118.9990 57.8745 36.9700 173.5876 90 L 4.6966 7.2124 127.9134 55.7284 38.3718 174.6365 91 E 4.5693 6.6649 120.8305 55.6149 29.1166 177.3634 92 N 5.3623 7.3289 122.3174 54.6142 42.3477 174.0476 93 G 4.2805 7.9980 113.2746 43.9186 0.0000 169.6173 94 K 5.0812 8.2274 118.3693 54.1450 34.2110 176.0802 95 K 4.6101 8.4862 124.8349 55.1411 33.5923 177.5564 96 I 4.4167 8.2051 129.1937 61.7029 35.5519 179.3664 97 R 4.2588 8.2586 126.5706 55.7920 29.9608 174.4762 98 V 3.2597 8.7793 125.9124 62.3217 29.4288 170.0497 99 C 4.5536 7.2687 116.8197 60.7892 32.4478 173.4835 100 A 4.3051 8.7175 122.4694 53.0604 21.3408 177.7112 101 K 3.5589 7.8609 124.8090 56.7280 32.9573 176.0253 *102 C 4.3630 8.4521 114.2923 58.1287 28.5244 169.4525 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 R 8.11 4.16 0.00 1.84 1.94 0.00 3.47 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 3 V 8.52 2.70 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 0.81 0.00 0.00 0.94 0.00 0.00 4 K 9.55 4.71 0.00 1.79 1.84 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.74 7.81 5 M 8.12 4.33 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 6 H 8.81 4.93 0.00 3.26 3.39 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.72 2.90 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 0.73 0.00 0.00 1.02 0.00 0.00 8 K 7.30 4.66 0.00 1.63 1.88 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.44 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 9 K 7.83 4.44 0.00 1.83 0.89 0.00 1.46 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.40 7.81 10 G 8.95 4.01 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 0.00 0.00 0.00 11 D 7.58 4.70 0.00 2.90 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 12 T 8.30 4.80 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 1.26 0.00 0.00 13 V 8.65 4.76 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 0.69 0.00 0.00 0.91 0.00 0.00 14 L 9.63 4.97 0.00 1.75 1.49 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.67 4.27 2.35 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 1.04 0.00 0.00 0.95 0.00 0.00 16 A 8.64 4.79 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 17 S 8.51 4.63 0.00 4.04 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 18 G 9.33 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 0.00 0.00 0.00 19 K 9.80 3.70 0.00 1.80 2.15 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.96 1.37 7.81 20 Y 8.24 4.31 0.00 3.10 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 21 K 8.34 3.99 0.00 1.77 1.91 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 22 G 8.74 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.81 4.09 0.00 1.93 1.93 0.00 3.13 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 24 V 8.39 4.62 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 0.84 0.00 0.00 0.94 0.00 0.00 25 G 9.04 4.19 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 0.00 26 K 8.34 4.59 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.41 7.81 27 V 8.67 3.98 2.16 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 1.15 0.00 0.00 0.95 0.00 0.00 28 K 7.82 4.42 0.00 1.90 1.96 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.45 7.81 29 E 7.74 3.75 0.00 2.01 2.32 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 2.24 2.34 0.00 30 V 7.48 3.90 2.05 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 1.12 0.00 0.00 0.84 0.00 0.00 31 L 7.65 4.41 0.00 1.63 1.61 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.93 0.00 2.06 2.16 0.00 3.73 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 1.97 1.97 0.00 33 K 8.49 3.85 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 34 K 8.02 4.09 0.00 1.76 1.88 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.43 7.81 35 Y 8.45 3.27 0.00 3.10 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 36 A 7.03 5.21 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 37 V 7.75 4.78 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 0.97 0.00 0.00 0.95 0.00 0.00 38 I 8.59 4.60 1.93 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 1.26 0.89 0.97 0.00 0.00 39 V 6.74 3.15 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 0.71 0.00 0.00 0.90 0.00 0.00 40 E 8.69 4.61 0.00 1.94 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 2.20 2.23 0.00 41 G 7.20 3.60 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 0.00 0.00 0.00 42 V 5.45 2.32 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 0.89 0.00 0.00 0.62 0.00 0.00 43 N 8.40 5.47 0.00 2.72 2.72 0.00 0.00 6.69 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 44 I 8.05 4.77 1.88 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 1.15 0.59 0.94 0.00 0.00 45 V 8.49 4.09 2.19 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 1.15 0.00 0.00 1.02 0.00 0.00 46 K 8.75 4.64 0.00 1.60 0.74 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 47 K 8.24 4.15 0.00 1.56 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.44 7.81 48 A 7.77 3.56 1.07 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 49 V 9.02 5.28 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 0.88 0.00 0.00 0.92 0.00 0.00 50 R 6.86 3.73 0.00 2.08 1.95 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 51 V 8.74 4.02 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 0.81 0.00 0.00 0.93 0.00 0.00 52 S 7.48 4.82 0.00 4.14 4.03 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 53 P 0.00 4.43 0.00 2.09 2.14 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 54 K 7.79 3.69 0.00 1.81 1.86 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.39 1.14 7.81 55 Y 7.75 3.63 0.00 3.18 3.05 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 56 P 0.00 4.46 0.00 2.10 2.20 0.00 3.87 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 2.10 2.22 0.00 57 Q 7.41 4.57 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 58 G 8.90 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 59 G 8.15 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 0.00 0.00 0.00 0.00 60 F 8.57 5.78 0.00 3.03 2.98 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 61 I 8.13 3.69 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.94 0.00 0.00 62 E 8.24 3.59 0.00 2.29 2.30 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 2.37 2.27 0.00 63 K 8.36 4.22 0.00 1.68 1.79 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 E 8.65 4.44 0.00 1.78 1.80 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 2.26 2.33 0.00 65 A 7.92 4.20 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 66 P 0.00 3.08 0.00 1.98 2.03 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 67 L 8.00 3.62 0.00 1.97 1.64 0.88 0.81 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 68 H 8.81 4.32 0.00 3.24 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.07 3.91 0.64 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 0.00 0.00 70 S 8.25 4.69 0.00 4.06 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 71 K 8.15 4.24 0.00 1.75 1.96 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.76 1.47 7.81 72 V 7.70 4.54 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 0.67 0.00 0.00 0.89 0.00 0.00 73 R 9.02 4.79 0.00 1.66 1.75 0.00 3.16 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 74 P 0.00 4.66 0.00 2.06 2.11 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.98 0.00 75 I 7.64 4.43 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 1.28 1.77 0.99 0.00 0.00 76 C 9.02 4.55 0.00 2.90 2.72 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 77 P 0.00 4.06 0.00 2.15 2.14 0.00 3.79 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 1.96 2.06 0.00 78 A 6.77 4.72 1.26 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 0.00 0.00 0.00 79 C 7.95 4.76 0.00 3.09 2.77 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 80 G 8.35 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 81 K 8.24 3.50 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.44 7.81 82 P 0.00 4.53 0.00 2.04 2.08 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 T 8.11 4.83 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 1.21 0.00 0.00 84 R 8.88 4.83 0.00 1.76 1.77 0.00 3.12 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 85 V 8.34 4.53 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 0.81 0.00 0.00 0.94 0.00 0.00 86 R 8.68 4.64 0.00 1.91 1.73 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 K 8.70 3.89 0.00 2.08 2.08 0.00 1.73 0.00 0.00 2.36 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.57 7.81 88 K 8.00 3.59 0.00 1.94 2.22 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.48 7.81 89 F 8.28 3.70 0.00 3.06 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 90 L 7.21 4.70 0.00 1.85 1.92 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 91 E 6.66 4.57 0.00 2.06 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 0.00 2.26 2.36 0.00 92 N 7.33 5.36 0.00 2.73 2.72 0.00 0.00 6.93 8.45 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 93 G 8.00 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 0.00 0.00 0.00 0.00 94 K 8.23 5.08 0.00 1.95 1.96 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.27 7.81 95 K 8.49 4.61 0.00 1.74 1.76 0.00 1.66 0.00 0.00 2.04 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.47 7.81 96 I 8.21 4.42 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 1.30 0.49 0.98 0.00 0.00 97 R 8.26 4.26 0.00 1.71 1.82 0.00 3.39 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 98 V 8.78 3.26 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 7.27 4.55 0.00 2.94 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 0.00 100 A 8.72 4.31 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 0.00 101 K 7.86 3.56 0.00 1.77 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81 *102 C 8.45 4.36 0.00 2.74 2.73 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 * Residues marked with a * may have inaccurate shift predictions.