NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2483 8.1844 120.6217 54.1181 44.0149 176.9688 3 D 4.3668 7.6984 119.3032 52.5651 43.0262 174.6528 4 Q 3.9037 8.8435 127.2010 59.4626 29.4240 178.0045 5 Q 3.8819 8.1086 119.9287 59.4560 29.0304 178.3429 6 T 3.7603 8.0426 116.5806 66.7460 68.5592 176.4360 7 I 3.5654 7.9107 121.9133 64.6657 37.1591 178.2185 8 N 4.3393 8.7464 117.5154 56.4328 38.3270 177.5999 9 I 3.8029 7.9686 121.4960 64.1001 37.1217 178.6494 10 I 3.2569 7.6958 120.8887 64.1769 36.6687 178.4224 11 K 3.9637 7.7933 117.7242 59.6029 31.9347 178.9267 12 A 4.1869 8.0287 120.2602 54.8363 18.6527 179.0402 13 T 4.3308 8.0455 107.6290 63.4398 69.5604 177.1405 14 V 3.7926 8.5208 122.0018 66.0335 31.4251 176.1672 15 P 4.3524 0.0000 0.0000 65.5729 30.9016 178.8055 16 V 3.6267 7.5376 116.3681 65.9567 31.7738 177.8522 17 L 4.0829 7.8246 118.3115 57.7091 41.5129 179.4347 18 K 3.9591 8.7079 118.8154 59.3380 31.7302 178.9196 19 E 4.0310 7.9275 118.2905 58.3448 29.7686 176.9420 20 H 4.8675 7.9875 115.9463 55.2276 29.8392 176.2442 21 G 3.8879 8.0354 109.0509 48.3359 0.0000 176.0459 22 V 3.6246 7.8373 120.3813 66.0972 31.4113 178.1049 23 T 3.9213 7.8286 114.8058 66.5301 68.2867 176.7545 24 I 3.6577 7.6332 121.3368 64.5412 37.1129 178.6058 25 T 3.9075 8.0332 116.7725 66.9711 68.3847 176.9281 26 T 3.9995 8.1043 111.7047 65.1846 68.8041 176.7174 27 T 3.8582 8.2093 118.8252 66.0795 68.3459 176.4374 28 F 3.9847 8.4008 122.7563 61.5910 39.4562 176.8505 29 Y 2.9656 7.7103 116.2403 60.3219 37.5378 178.3747 30 K 3.8592 7.9378 120.5456 59.7178 32.3077 178.6690 31 N 4.2411 7.9018 116.6513 55.9350 38.5448 177.1241 32 L 3.6922 7.4457 121.9486 58.3271 41.8600 179.2502 33 F 4.6472 7.5307 115.8445 60.2982 38.8416 177.4942 34 A 4.1462 7.8285 119.9401 55.0761 18.4213 179.3816 35 K 4.1575 7.9713 114.1593 57.5722 33.8722 177.3608 36 H 5.1410 7.9073 115.3537 51.7120 29.9503 172.1539 37 P 4.2407 0.0000 0.0000 65.6009 31.3557 178.0427 38 E 4.1149 8.2851 115.5147 58.6955 29.5640 178.4876 39 V 4.1144 8.0105 112.5715 62.1081 32.1669 177.9695 40 R 3.6756 7.8878 119.0077 58.8312 29.6584 176.9628 41 P 4.3390 0.0000 0.0000 65.1486 31.3651 178.1778 42 L 4.0870 7.8808 117.1470 57.1423 41.8284 176.6025 43 F 4.6743 7.7952 116.6074 55.7643 41.3155 174.5659 *53 Q 4.0120 8.2443 118.7831 55.6006 29.3736 174.1684 54 P 4.5320 0.0000 0.0000 62.3369 29.9154 177.0969 55 K 4.0372 8.5417 123.2332 58.7353 32.4246 178.0708 56 A 4.4031 7.9812 120.0896 52.2727 19.3946 178.3834 57 L 3.9302 8.0665 118.5792 58.3738 42.1812 179.0158 58 A 3.6506 7.7180 119.7412 55.3633 18.3584 179.3815 59 M 4.0489 7.9372 116.6845 58.7535 31.9837 178.9813 60 T 3.9361 8.5062 116.5009 66.3976 68.4828 176.8806 61 V 3.6792 7.5475 120.3066 66.0248 31.4901 178.1026 62 L 4.1953 7.9008 118.0654 57.8592 41.2382 179.3827 63 A 4.0322 8.1331 119.6249 55.0763 18.7083 179.2597 64 A 4.1239 8.3569 119.3418 55.2413 18.5853 179.7454 65 A 3.9841 8.5130 119.8400 55.3116 18.2485 179.6450 66 Q 4.0826 8.4844 117.5509 58.3030 29.2641 177.0534 67 N 4.9712 7.7554 116.7682 52.7077 39.7164 176.6414 68 I 3.6140 7.4469 123.4199 64.2764 38.1110 176.8871 69 E 4.1339 8.0339 117.6137 58.0104 30.3199 175.9185 70 N 5.0594 8.0898 117.3972 51.3395 39.2918 175.0358 71 L 3.9565 7.9396 121.3823 57.8333 42.2042 177.4310 72 P 4.3319 0.0000 0.0000 65.6332 30.9760 178.2758 73 A 4.1093 8.0891 118.8116 54.1259 18.4940 178.5396 74 I 4.1734 7.9065 110.7284 60.8350 38.0314 177.3185 75 L 3.8333 7.5289 122.5068 58.0656 41.3311 177.4384 76 P 4.2430 0.0000 0.0000 65.5312 31.2237 178.5871 77 A 3.9870 7.8331 118.9299 55.1999 18.4280 179.4123 78 V 3.3045 7.7628 116.8978 66.1810 31.2685 178.1736 79 K 3.8424 8.3764 119.5599 59.2406 31.5212 178.8018 80 K 3.9564 7.7992 119.9455 59.4738 32.1152 178.9514 81 I 3.7436 7.9642 119.9308 64.2001 36.9577 177.9317 82 A 4.3846 8.2193 123.3047 54.7422 18.1786 179.8723 83 V 3.4705 7.5734 116.2372 66.0634 31.6367 178.4470 84 K 4.0271 7.6968 117.1835 59.6593 31.9182 178.9839 85 H 4.2626 8.6876 116.9656 59.3132 28.8258 177.7099 86 C 4.0738 8.2677 119.9696 62.2027 27.6115 176.1853 87 Q 4.1263 8.0887 118.8287 58.5876 28.3651 177.9787 88 A 4.3263 7.7425 119.7876 52.6263 18.8498 178.1627 89 G 3.9631 7.6532 104.1474 45.4670 0.0000 173.8375 90 V 3.6729 7.8190 119.2572 62.5297 32.1050 175.3101 91 A 4.9446 8.7094 128.5690 49.9080 21.9305 176.9435 92 A 4.3883 8.6536 120.9509 55.2775 18.1815 180.1076 93 A 4.1400 7.9726 117.8261 55.1437 18.8949 178.9984 94 H 4.3948 8.1577 115.0720 58.7119 28.5955 177.2704 95 Y 4.1397 8.0148 119.0998 60.8973 37.6670 177.1321 96 P 4.4509 0.0000 0.0000 65.3856 31.4735 178.8749 97 I 3.6680 7.7061 118.5781 64.2898 37.1024 178.3807 98 V 3.7701 7.8307 119.0962 65.8704 31.2674 178.3117 99 G 2.5629 8.1207 105.6886 47.3305 0.0000 175.4178 100 Q 3.9052 8.1998 122.2627 59.1110 29.1202 178.3685 101 E 4.0088 8.1408 119.4866 58.8989 29.3364 179.1410 102 L 3.8342 8.1016 120.6992 58.1626 42.2106 178.9305 103 L 3.9928 8.0198 119.2366 57.7690 41.5384 179.8171 104 G 3.5790 8.1081 105.4249 47.7018 0.0000 175.6234 105 A 3.9946 7.9865 123.1822 54.9526 18.4105 179.7749 106 I 3.4858 7.8708 118.5733 64.2755 37.0938 178.6258 107 K 3.9118 8.0902 120.5076 59.3183 31.8064 178.4325 108 E 3.8629 7.7044 118.2085 59.4096 29.6219 178.7605 109 V 3.6382 7.3641 116.6150 65.8654 31.6381 177.7390 110 L 4.0916 7.9574 118.1594 55.2938 42.1178 179.1895 111 G 3.6771 8.5618 107.6059 46.1897 0.0000 175.3047 112 D 4.2818 9.2144 121.5319 57.4303 40.5152 177.7295 113 A 4.0952 7.9560 117.4461 53.5058 18.3309 178.0970 114 A 4.3586 7.6850 120.9709 51.2720 17.2338 178.0492 115 T 4.3382 7.7206 112.4338 60.8309 71.7729 175.4579 116 D 4.4254 8.6178 121.9429 57.8662 40.9709 178.9412 117 D 4.4819 8.0835 118.7860 57.0587 40.7809 178.7326 118 I 3.8937 7.4327 119.7681 64.1758 37.1350 178.2615 119 L 4.1268 8.0496 119.8197 58.1383 41.5098 179.3804 120 D 4.3804 8.6437 118.9346 57.1360 40.6895 178.7384 121 A 3.9226 7.8924 121.0787 55.1037 18.4136 179.7892 122 W 4.1422 8.5222 117.7128 59.6645 29.0087 179.0656 123 G 3.7597 8.6427 106.1229 47.7808 0.0000 175.9323 124 K 3.9935 8.3099 120.9220 59.0196 32.0642 179.2297 125 A 3.8842 8.3961 121.4016 55.3802 18.2106 178.9804 126 Y 4.1045 8.7047 118.5623 60.6900 38.8502 178.2963 127 G 3.8078 8.4365 106.8258 48.1416 0.0000 175.7420 128 V 3.5859 7.6780 120.9324 65.6102 31.3960 178.2140 129 I 3.7829 7.7579 119.4494 64.1338 36.9387 178.2137 130 A 3.7543 8.3810 122.3974 55.0590 18.0499 179.2794 131 D 4.2239 7.9607 117.4185 57.4395 40.8887 179.2854 132 V 3.4730 7.3870 117.6665 65.9775 31.4813 178.0721 133 F 3.8833 7.8710 117.5305 60.5875 38.7049 177.5021 134 I 3.6037 7.8620 119.7011 64.6014 36.8899 178.5219 135 Q 3.9505 8.1614 118.6122 58.9662 28.6076 178.8644 136 V 3.5489 7.7445 119.1924 66.1158 31.2022 177.9687 137 E 3.8644 8.5074 118.2327 59.2923 29.3553 179.0232 138 A 4.2548 8.4773 121.2559 55.5148 18.4063 179.4865 139 D 4.3692 8.3386 117.3484 57.3973 40.6429 179.0053 140 L 4.0213 7.7094 118.8220 57.8404 41.9244 178.7612 141 Y 4.3708 8.2910 116.8968 61.0612 37.7078 178.5215 142 A 4.1663 8.2652 121.6228 55.3792 18.3585 179.6424 143 Q 4.0382 8.4854 114.8573 58.3243 28.7861 178.4274 144 A 4.1779 7.8792 121.2358 53.9087 18.4318 177.6821 145 V 3.9735 7.3932 115.3991 61.5067 32.0243 175.5263 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 L 8.18 4.25 0.00 1.63 1.77 0.90 0.70 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 3 D 7.70 4.37 0.00 2.85 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.84 3.90 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 5 Q 8.11 3.88 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 T 8.04 3.76 4.40 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 1.08 0.00 0.00 7 I 7.91 3.57 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.01 0.85 0.00 0.00 8 N 8.75 4.34 0.00 2.82 2.85 0.00 0.00 7.08 8.01 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 9 I 7.97 3.80 1.89 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 1.51 0.72 0.94 0.00 0.00 10 I 7.70 3.26 1.71 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 1.27 0.17 0.59 0.00 0.00 11 K 7.79 3.96 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 12 A 8.03 4.19 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 13 T 8.05 4.33 4.52 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 1.38 0.00 0.00 14 V 8.52 3.79 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 1.22 0.00 0.00 1.31 0.00 0.00 15 P 0.00 4.35 0.00 2.23 2.12 0.00 3.89 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 2.16 2.19 0.00 16 V 7.54 3.63 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 17 L 7.82 4.08 0.00 1.83 1.50 0.75 0.18 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 18 K 8.71 3.96 0.00 1.75 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.69 7.81 19 E 7.93 4.03 0.00 2.06 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 2.18 2.28 0.00 20 H 7.99 4.87 0.00 3.17 3.21 0.00 5.71 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 21 G 8.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.84 3.62 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 1.07 0.00 0.00 0.93 0.00 0.00 23 T 7.83 3.92 4.35 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 1.19 0.00 0.00 24 I 7.63 3.66 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.75 0.00 0.00 25 T 8.03 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 1.45 0.00 0.00 26 T 8.10 4.00 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 1.27 0.00 0.00 27 T 8.21 3.86 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 1.18 0.00 0.00 28 F 8.40 3.98 0.00 2.95 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 29 Y 7.71 2.97 0.00 2.96 2.65 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 0.00 0.00 0.00 0.00 30 K 7.94 3.86 0.00 1.93 1.96 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.49 7.81 31 N 7.90 4.24 0.00 2.69 2.95 0.00 0.00 6.73 6.88 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 32 L 7.45 3.69 0.00 0.64 0.74 0.69 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.53 4.65 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.83 4.15 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 35 K 7.97 4.16 0.00 1.64 1.64 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.50 7.81 36 H 7.91 5.14 0.00 3.32 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.24 0.00 2.15 2.11 0.00 3.61 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 2.12 2.15 0.00 38 E 8.29 4.11 0.00 2.20 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 2.44 2.41 0.00 39 V 8.01 4.11 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 0.94 0.00 0.00 1.26 0.00 0.00 40 R 7.89 3.68 0.00 1.80 1.67 0.00 3.22 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.66 0.00 41 P 0.00 4.34 0.00 2.02 2.11 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 42 L 7.88 4.09 0.00 1.55 1.41 0.75 0.66 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 43 F 7.80 4.67 0.00 3.08 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 *53 Q 8.24 4.01 0.00 1.67 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.26 0.00 0.00 0.00 0.00 0.00 1.84 2.24 0.00 54 P 0.00 4.53 0.00 2.42 2.17 0.00 3.90 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 55 K 8.54 4.04 0.00 1.78 1.93 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.39 7.81 56 A 7.98 4.40 1.34 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 0.00 0.00 57 L 8.07 3.93 0.00 2.05 1.79 1.23 1.13 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 58 A 7.72 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 M 7.94 4.05 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 60 T 8.51 3.94 4.47 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 1.33 0.00 0.00 61 V 7.55 3.68 2.27 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 1.33 0.00 0.00 1.03 0.00 0.00 62 L 7.90 4.20 0.00 1.95 1.77 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.13 4.03 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 64 A 8.36 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 3.98 1.58 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 0.00 0.00 66 Q 8.48 4.08 0.00 2.13 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.37 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 67 N 7.76 4.97 0.00 2.99 2.77 0.00 0.00 6.48 6.72 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 68 I 7.45 3.61 1.99 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 1.20 0.56 0.87 0.00 0.00 69 E 8.03 4.13 0.00 1.98 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 2.28 2.26 0.00 70 N 8.09 5.06 0.00 2.67 2.64 0.00 0.00 7.01 6.42 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 71 L 7.94 3.96 0.00 1.69 1.67 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.33 0.00 2.12 2.08 0.00 3.56 0.00 0.00 3.74 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 73 A 8.09 4.11 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 74 I 7.91 4.17 1.87 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 1.73 0.66 0.92 0.00 0.00 75 L 7.53 3.83 0.00 1.79 1.71 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.24 0.00 2.14 2.09 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 77 A 7.83 3.99 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 78 V 7.76 3.30 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 0.40 0.00 0.00 0.63 0.00 0.00 79 K 8.38 3.84 0.00 1.79 1.73 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 80 K 7.80 3.96 0.00 2.05 1.80 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 81 I 7.96 3.74 2.12 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.89 0.00 0.00 82 A 8.22 4.38 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 83 V 7.57 3.47 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 1.01 0.00 0.00 0.98 0.00 0.00 84 K 7.70 4.03 0.00 2.07 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.63 7.81 85 H 8.69 4.26 0.00 3.41 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.27 4.07 0.00 2.74 2.52 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 87 Q 8.09 4.13 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 88 A 7.74 4.33 1.30 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 89 G 7.65 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 90 V 7.82 3.67 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 0.70 0.00 0.00 0.75 0.00 0.00 91 A 8.71 4.94 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 92 A 8.65 4.39 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 A 7.97 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 4.39 0.00 3.29 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.01 4.14 0.00 3.34 3.17 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 96 P 0.00 4.45 0.00 2.23 2.19 0.00 3.76 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 97 I 7.71 3.67 2.02 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 1.44 0.81 0.63 0.00 0.00 98 V 7.83 3.77 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 1.10 0.00 0.00 0.98 0.00 0.00 99 G 8.12 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 3.91 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 101 E 8.14 4.01 0.00 2.00 1.82 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 2.43 2.26 0.00 102 L 8.10 3.83 0.00 1.55 1.52 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.02 3.99 0.00 1.75 1.69 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.11 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 0.00 0.00 0.00 0.00 105 A 7.99 3.99 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 0.00 106 I 7.87 3.49 1.84 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.78 0.58 0.00 0.00 107 K 8.09 3.91 0.00 1.81 1.92 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 108 E 7.70 3.86 0.00 2.11 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 0.00 2.29 2.29 0.00 109 V 7.36 3.64 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 0.77 0.00 0.00 0.92 0.00 0.00 110 L 7.96 4.09 0.00 1.73 1.76 0.90 0.68 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 0.00 111 G 8.56 3.68 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 0.00 0.00 0.00 112 D 9.21 4.28 0.00 2.67 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 0.00 113 A 7.96 4.10 1.34 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 0.00 0.00 114 A 7.68 4.36 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.34 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 0.00 116 D 8.62 4.43 0.00 2.72 2.79 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 0.00 117 D 8.08 4.48 0.00 2.71 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 0.00 118 I 7.43 3.89 2.12 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 1.61 0.64 1.15 0.00 0.00 119 L 8.05 4.13 0.00 1.93 1.77 0.98 0.94 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 0.00 120 D 8.64 4.38 0.00 2.76 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 0.00 121 A 7.89 3.92 1.30 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 0.00 122 W 8.52 4.14 0.00 3.48 3.32 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 0.00 123 G 8.64 3.76 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 0.00 0.00 0.00 124 K 8.31 3.99 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.76 7.81 125 A 8.40 3.88 1.13 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 0.00 126 Y 8.70 4.10 0.00 3.27 3.26 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 0.00 127 G 8.44 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 0.00 128 V 7.68 3.59 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 0.98 0.00 0.00 0.95 0.00 0.00 129 I 7.76 3.78 1.91 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 1.49 0.79 1.06 0.00 0.00 130 A 8.38 3.75 0.97 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 0.00 0.00 0.00 0.00 0.00 131 D 7.96 4.22 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.39 3.47 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 0.81 0.00 0.00 0.90 0.00 0.00 133 F 7.87 3.88 0.00 2.99 3.04 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 0.00 134 I 7.86 3.60 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.08 0.90 0.00 0.00 135 Q 8.16 3.95 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 136 V 7.74 3.55 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 0.94 0.00 0.00 0.85 0.00 0.00 137 E 8.51 3.86 0.00 2.39 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 2.39 0.00 138 A 8.48 4.25 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.34 4.37 0.00 2.81 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 0.00 140 L 7.71 4.02 0.00 1.52 1.60 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.29 4.37 0.00 3.19 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 0.00 142 A 8.27 4.17 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 0.00 143 Q 8.49 4.04 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 144 A 7.88 4.18 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.39 3.97 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 0.72 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.