NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.8820 8.4545 109.7364 44.0432 0.0000 176.3170 22 L 5.3673 7.2264 128.8338 54.4875 42.6414 174.6698 23 I 4.0462 7.6184 123.9879 61.5285 37.3027 178.3866 24 K 4.1376 8.0282 120.3142 57.9894 31.4843 184.6489 25 S 4.1936 7.9941 112.4718 61.7312 63.3284 176.5197 26 L 4.0798 7.8563 122.5493 57.6091 40.1017 178.7228 27 A 4.0924 8.2779 124.1586 55.6750 18.2879 179.5260 28 E 4.3906 7.9794 115.6004 59.5847 30.3433 180.9360 29 K 4.4552 7.6379 122.4516 59.7247 32.2306 183.5829 30 E 4.0398 7.9023 123.5776 59.9103 29.5086 179.2475 31 K 4.5114 7.6046 114.4839 55.2120 31.8632 179.2853 32 Q 4.5699 7.7503 118.8482 58.3877 30.5495 177.7751 33 L 4.0629 7.9483 119.9316 57.5876 41.7288 179.3243 34 L 3.9855 8.2515 120.7064 58.1636 42.0188 178.8864 35 E 4.0432 8.0964 118.1322 59.1610 29.3535 179.0445 36 R 3.9698 8.4154 119.4072 59.1247 30.1052 178.5887 37 L 4.0165 7.9431 119.1594 57.6650 41.5148 179.2071 38 E 3.9471 8.1241 117.9212 59.4220 29.4319 179.3152 39 A 3.9898 7.9518 120.1080 54.8460 18.3048 179.5836 40 A 3.9488 7.7086 119.7299 55.3433 18.3819 180.0644 41 K 3.9715 7.9610 116.9870 59.6797 32.0139 179.1780 42 K 3.8793 8.4197 119.0338 59.9240 31.8399 178.2541 43 E 4.1150 8.0963 117.9524 57.5194 29.9869 178.4465 44 A 4.2006 7.8682 123.1625 56.5292 18.6206 180.1627 45 E 3.8953 8.3480 117.1207 61.2370 29.8554 180.3150 46 E 4.3809 8.9253 121.0359 58.0337 29.7160 178.2405 47 R 4.4677 7.6524 119.3839 60.8364 30.8400 183.6536 48 V 3.8265 7.6780 120.0877 64.4874 31.1390 178.2664 49 K 3.8816 8.5558 119.4645 59.6664 31.9902 178.9890 50 R 3.8779 8.1427 117.0937 59.7257 29.9015 178.6925 51 A 4.0571 7.8139 120.2147 55.1973 18.4208 179.5996 52 E 3.9335 7.9199 116.5555 59.3182 29.4906 179.4440 53 A 3.9656 8.3895 121.3524 55.1631 18.6045 179.1743 54 E 3.8827 8.8073 117.9453 59.2971 29.5693 179.1255 55 A 3.9361 7.7341 120.6014 54.9384 18.5079 179.0381 56 K 3.7186 7.9052 117.8637 60.0943 32.0027 178.6952 57 A 4.0508 8.0299 120.4617 54.7424 18.1064 179.5193 58 L 3.9221 7.6803 118.7156 58.4434 42.3649 179.1170 59 L 4.0871 8.0089 118.2319 57.0309 41.4254 179.4040 60 E 3.9778 8.1531 119.4311 59.3829 29.4601 178.7249 61 E 3.9242 7.8894 119.0067 59.1025 29.4774 178.2742 62 A 4.1899 8.1792 119.3951 53.6300 18.6680 178.4497 63 E 4.2610 7.5811 116.2789 58.4650 30.3321 177.9503 64 A 4.0716 7.9667 120.7470 55.3771 18.1724 179.6846 65 K 3.8465 8.1178 117.4934 59.6630 32.4855 178.7481 66 A 3.9576 7.9463 120.4919 55.4452 18.2488 179.6496 67 K 4.2264 8.9027 118.2142 58.8092 31.9343 179.2335 68 A 4.1803 7.5730 119.6877 53.9073 18.4508 179.0379 69 L 4.1430 8.1259 119.9668 58.0343 42.3617 178.5149 70 E 3.9659 8.0652 118.1858 59.5476 28.5513 179.0022 71 A 4.1662 8.0069 120.8707 54.6898 18.1209 178.5895 72 Q 4.4562 7.6976 112.6711 56.7387 29.5466 176.3244 73 Y 4.2093 7.5953 118.8218 60.2900 38.9677 177.8099 74 R 4.0007 8.6625 119.3079 59.1809 30.0787 178.4686 75 E 4.1102 7.7807 115.1119 58.0254 29.1163 178.7399 76 R 3.8330 7.7274 118.9752 59.6167 29.7286 177.9619 77 E 3.9703 7.9474 117.0786 59.4117 29.6459 178.9512 78 R 4.4303 8.0998 120.7662 58.5162 30.0078 177.8568 79 A 4.3057 7.6708 117.9352 53.4039 18.5884 178.0495 80 E 4.4731 7.6118 116.3410 58.0099 30.8218 178.1576 81 T 4.3242 9.0393 106.3236 62.4425 68.4283 174.7433 82 E 4.3020 7.7151 119.2691 58.5010 31.3003 177.9199 83 A 4.0200 7.9168 120.0698 55.0847 18.1679 179.2782 84 L 3.8290 8.4489 118.5130 58.2986 42.5222 178.8221 85 L 4.4088 8.0482 118.0725 58.1000 41.2743 179.0227 86 A 3.9938 8.6146 120.8176 55.6932 18.1629 180.0090 87 R 3.7391 8.1304 116.3314 59.5166 29.4246 178.5778 88 Y 4.1602 8.0563 116.7067 61.3602 37.6299 179.0117 89 R 4.5592 8.1941 118.2839 59.4471 30.2912 178.7640 90 E 4.1197 7.7350 118.0686 58.9256 29.4546 179.3404 91 R 3.9423 8.0646 118.6574 59.3073 30.1896 178.0212 92 A 4.0133 9.3981 121.0318 55.4649 18.3455 179.5024 93 E 3.8934 7.9794 114.0889 59.4759 29.3744 179.1120 94 A 3.9999 7.7928 120.4779 54.3899 18.1919 178.7650 95 E 4.2010 7.9450 115.3751 57.6687 30.1490 178.4958 96 A 4.0921 8.1122 121.8971 55.1529 18.4704 179.3042 97 K 3.7768 8.3814 118.2056 59.8102 31.9129 178.3299 98 A 4.1319 7.5551 118.9677 53.9813 18.4728 179.0309 99 V 4.0046 7.4040 109.9542 63.1168 32.3935 178.4527 100 R 4.0621 7.8122 117.4662 59.5066 29.8615 178.8084 101 E 4.0002 7.7087 117.0435 59.1599 29.4801 178.5095 102 K 4.0325 7.9963 118.8341 59.4199 31.1281 178.2803 103 A 4.1631 7.6856 121.1212 52.3071 17.7509 179.1718 *105 A 4.3460 8.1288 124.0609 53.6105 20.8474 178.9192 106 R 4.5426 7.1106 113.7657 55.2013 29.5400 175.3172 107 L 4.5151 7.5757 122.3978 57.0267 44.4509 177.5516 108 D 4.3766 8.1501 117.8833 57.5798 40.2111 178.6163 109 E 3.9748 8.2633 118.3673 59.2289 29.4307 179.1218 110 A 3.9822 8.2226 121.0156 55.1792 18.5658 179.4892 111 V 3.4984 7.9083 116.0215 66.2607 31.4124 177.6373 112 A 4.0456 8.7142 122.8658 56.0927 18.0246 180.2017 113 L 3.9729 7.5922 119.0792 59.6512 41.1592 181.4086 114 V 3.9020 7.9016 118.5299 65.7639 31.5150 177.7648 115 L 3.9325 8.0023 118.6549 58.1428 41.4864 179.8778 116 K 3.9909 7.9723 115.6889 58.4018 32.0928 177.8289 117 E 4.5606 8.4378 117.1752 56.3135 30.5370 177.2417 118 V 4.1117 7.8337 112.6206 62.5610 32.6606 177.1855 119 L 4.3584 7.6723 116.3076 55.7281 41.0106 174.8429 120 P 4.4055 0.0000 0.0000 63.0202 31.3176 175.9656 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 21 G 8.45 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 22 L 7.23 5.37 0.00 1.82 1.53 0.92 0.60 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 23 I 7.62 4.05 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 1.27 0.54 0.91 0.00 0.00 24 K 8.03 4.14 0.00 1.67 1.85 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.00 7.81 25 S 7.99 4.19 0.00 3.99 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 26 L 7.86 4.08 0.00 1.99 1.96 0.92 0.51 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 27 A 8.28 4.09 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 28 E 7.98 4.39 0.00 2.08 1.86 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 2.25 2.19 0.00 29 K 7.64 4.46 0.00 1.80 1.83 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.30 7.81 30 E 7.90 4.04 0.00 2.06 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 2.31 2.28 0.00 31 K 7.60 4.51 0.00 1.86 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.28 7.81 32 Q 7.75 4.57 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 33 L 7.95 4.06 0.00 1.70 1.71 0.92 0.34 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 34 L 8.25 3.99 0.00 1.87 1.65 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.10 4.04 0.00 2.05 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 2.40 2.45 0.00 36 R 8.42 3.97 0.00 1.94 2.06 0.00 3.09 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 37 L 7.94 4.02 0.00 1.96 1.70 0.94 0.91 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 38 E 8.12 3.95 0.00 2.19 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 0.00 2.33 2.45 0.00 39 A 7.95 3.99 1.31 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 40 A 7.71 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 41 K 7.96 3.97 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.62 7.81 42 K 8.42 3.88 0.00 1.93 1.82 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 43 E 8.10 4.11 0.00 1.96 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 2.32 2.32 0.00 44 A 7.87 4.20 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 45 E 8.35 3.90 0.00 1.97 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 2.24 2.18 0.00 46 E 8.93 4.38 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 2.32 2.32 0.00 47 R 7.65 4.47 0.00 1.83 1.88 0.00 3.31 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 48 V 7.68 3.83 2.18 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 0.90 0.00 0.00 0.93 0.00 0.00 49 K 8.56 3.88 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 50 R 8.14 3.88 0.00 2.08 2.02 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 51 A 7.81 4.06 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 52 E 7.92 3.93 0.00 2.19 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 2.33 2.32 0.00 53 A 8.39 3.97 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 54 E 8.81 3.88 0.00 2.21 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 2.34 0.00 55 A 7.73 3.94 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 56 K 7.91 3.72 0.00 1.86 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 57 A 8.03 4.05 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 58 L 7.68 3.92 0.00 1.97 1.84 0.92 0.44 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 59 L 8.01 4.09 0.00 1.74 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.15 3.98 0.00 2.20 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 2.32 2.44 0.00 61 E 7.89 3.92 0.00 2.06 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 2.30 2.37 0.00 62 A 8.18 4.19 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 63 E 7.58 4.26 0.00 2.27 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 2.25 2.44 0.00 64 A 7.97 4.07 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 65 K 8.12 3.85 0.00 1.90 1.80 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 66 A 7.95 3.96 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 67 K 8.90 4.23 0.00 1.72 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 68 A 7.57 4.18 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 69 L 8.13 4.14 0.00 1.89 1.62 0.77 0.78 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 70 E 8.07 3.97 0.00 2.24 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 2.30 2.41 0.00 71 A 8.01 4.17 1.44 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 72 Q 7.70 4.46 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 73 Y 7.60 4.21 0.00 3.19 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 74 R 8.66 4.00 0.00 1.84 2.01 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 75 E 7.78 4.11 0.00 2.02 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 2.30 2.46 0.00 76 R 7.73 3.83 0.00 2.02 1.92 0.00 3.35 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 0.00 77 E 7.95 3.97 0.00 2.24 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 2.50 2.33 0.00 78 R 8.10 4.43 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 79 A 7.67 4.31 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 80 E 7.61 4.47 0.00 2.15 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 2.21 2.36 0.00 81 T 9.04 4.32 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 1.23 0.00 0.00 82 E 7.72 4.30 0.00 2.18 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 2.23 2.39 0.00 83 A 7.92 4.02 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 84 L 8.45 3.83 0.00 1.79 1.80 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.05 4.41 0.00 1.79 1.77 0.97 0.74 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 86 A 8.61 3.99 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 87 R 8.13 3.74 0.00 2.01 1.81 0.00 3.05 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 88 Y 8.06 4.16 0.00 3.19 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 89 R 8.19 4.56 0.00 2.06 2.02 0.00 3.14 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 90 E 7.73 4.12 0.00 1.91 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 2.45 2.46 0.00 91 R 8.06 3.94 0.00 1.86 2.14 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 92 A 9.40 4.01 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 93 E 7.98 3.89 0.00 2.26 2.24 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 2.46 2.33 0.00 94 A 7.79 4.00 1.47 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 0.00 0.00 95 E 7.95 4.20 0.00 2.20 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 0.00 2.31 2.50 0.00 96 A 8.11 4.09 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 97 K 8.38 3.78 0.00 1.82 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 98 A 7.56 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 99 V 7.40 4.00 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 0.89 0.00 0.00 1.00 0.00 0.00 100 R 7.81 4.06 0.00 1.85 1.97 0.00 3.13 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 101 E 7.71 4.00 0.00 1.89 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 2.35 2.43 0.00 102 K 8.00 4.03 0.00 1.71 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 103 A 7.69 4.16 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 *105 A 8.13 4.35 1.31 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 0.00 106 R 7.11 4.54 0.00 1.74 1.89 0.00 3.12 0.00 0.00 3.13 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 107 L 7.58 4.52 0.00 1.84 1.59 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.15 4.38 0.00 2.80 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 0.00 109 E 8.26 3.97 0.00 2.05 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 0.00 2.40 2.44 0.00 110 A 8.22 3.98 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 0.00 111 V 7.91 3.50 2.22 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 1.04 0.00 0.00 0.98 0.00 0.00 112 A 8.71 4.05 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 0.00 113 L 7.59 3.97 0.00 1.78 1.61 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.90 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 0.97 0.00 0.00 0.95 0.00 0.00 115 L 8.00 3.93 0.00 1.73 1.73 0.92 1.00 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 0.00 116 K 7.97 3.99 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.64 7.81 117 E 8.44 4.56 0.00 2.00 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 2.31 2.45 0.00 118 V 7.83 4.11 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 0.83 0.00 0.00 1.01 0.00 0.00 119 L 7.67 4.36 0.00 1.77 1.78 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.41 0.00 2.06 2.01 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.