NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 R 4.4237 8.2393 120.8949 56.1836 30.2746 174.3648 13 L 4.5941 8.0364 124.5052 52.4327 43.5895 173.9137 14 P 4.3130 0.0000 0.0000 62.3099 32.7508 177.0407 15 P 4.2565 0.0000 0.0000 65.3563 31.4432 177.5296 16 E 4.0759 7.9651 116.3407 58.1368 30.1079 177.6520 17 V 2.0000 6.7176 118.9871 61.2299 31.8543 174.8770 18 N 4.5777 7.3708 116.9464 52.6858 41.5284 174.8276 19 R 4.2528 8.4989 122.4393 58.3091 31.6316 175.8865 20 I 4.8407 8.3855 121.3802 59.7371 39.0854 174.5969 21 L 5.2520 9.3771 127.5772 53.1869 44.4436 174.7509 22 Y 4.9809 9.5259 125.4599 56.3021 40.8502 174.1299 23 I 4.8257 8.0096 126.9885 59.4933 40.6434 174.8501 24 R 4.5960 8.5608 124.5770 54.1447 34.5856 174.4782 25 N 4.0242 8.5086 115.0181 54.6595 37.3563 173.5178 26 L 4.4487 7.8135 118.3470 52.5772 43.3637 173.9301 27 P 4.4311 0.0000 0.0000 62.8992 31.9409 177.1054 28 Y 4.3988 8.2669 119.7695 61.2312 37.9474 177.4158 29 K 4.2781 7.9997 116.1503 57.0038 32.5526 176.9884 30 I 3.9635 7.3414 120.9090 61.1148 38.5634 176.0218 31 T 4.4981 8.9581 118.1094 60.3467 71.7187 175.8009 32 A 4.0967 8.5167 123.3837 55.6354 18.2651 179.6820 33 E 4.0097 8.2078 117.1377 59.4837 29.7184 178.7676 34 E 4.0367 8.3229 118.7093 59.4787 29.4462 179.0576 35 M 4.2394 8.3639 118.8680 58.8333 32.1144 178.4219 36 Y 3.8397 8.2880 116.6323 61.0860 37.8335 177.6885 37 D 4.3871 8.3107 117.9441 57.9360 41.0363 178.4947 38 I 3.5914 8.1740 119.8649 64.5840 37.0237 178.6573 39 F 4.1780 8.4633 118.6104 59.9627 38.7452 177.6294 40 G 3.9247 8.7368 104.4527 45.9008 0.0000 175.4242 41 K 3.8852 7.4464 121.2876 58.9154 32.2143 177.2623 42 Y 4.4707 8.6401 114.7136 57.2027 38.4715 174.8499 43 G 4.4733 7.3738 105.2651 42.6938 0.0000 171.2240 44 P 4.2700 0.0000 0.0000 63.4226 32.1598 175.6266 45 I 4.2365 8.3894 125.3063 60.4497 37.8408 176.0176 46 R 4.4396 9.4554 127.7406 57.9316 30.1883 176.7218 47 Q 4.6967 7.4156 114.0458 55.5206 31.6161 172.2913 48 I 4.8851 8.3204 120.1010 59.5708 40.8716 175.0936 49 R 4.6600 8.9277 124.4759 54.3746 33.3880 174.4715 50 V 4.5731 8.4168 123.6872 60.5104 33.8259 175.4106 51 G 3.9778 9.1431 115.9511 45.5042 0.0000 173.1804 52 N 5.1923 8.5758 122.4029 52.5476 38.1112 173.9123 53 T 4.7144 7.7536 106.9749 59.8896 72.2204 172.5614 54 P 4.1284 0.0000 0.0000 65.9719 31.2815 177.8475 55 E 4.2287 8.1193 115.1492 57.8441 29.8482 177.1317 56 T 4.5140 7.4557 107.9632 61.0527 70.3833 174.7072 57 R 3.9777 7.7598 119.6221 57.8592 29.8160 176.9998 58 G 4.5515 9.7297 108.2452 45.3342 0.0000 172.2682 59 T 5.1005 7.2220 108.3060 60.1908 72.9460 172.1405 60 A 4.7823 7.9992 121.5270 51.5160 23.5600 174.7801 61 Y 5.1307 8.8789 117.5551 56.2090 40.9233 175.3389 62 V 4.2963 8.6854 125.0331 59.7554 34.0643 174.8530 63 V 4.7296 8.3026 124.9351 61.3300 33.5033 174.1304 64 Y 4.5857 8.7366 125.8600 56.8615 38.9833 175.9174 65 E 4.2195 9.0740 121.9793 58.7190 31.0055 176.8620 66 D 4.9666 8.0757 118.0935 51.5558 44.2165 176.1156 67 I 3.7032 8.3667 125.4026 64.0369 38.0847 178.0768 68 F 4.1222 8.6929 119.1826 60.1913 38.7669 177.5022 69 D 4.3484 8.4325 118.0720 57.3293 40.6767 178.3580 70 A 3.3142 7.7066 121.2206 54.7098 18.3400 179.5474 71 K 4.5701 8.1651 119.5932 59.1519 32.2315 178.4020 72 N 4.2025 8.0052 116.6229 56.6941 38.8112 176.6304 73 A 2.6324 7.7885 122.2296 54.8559 18.2155 179.1078 74 C 3.8253 7.7648 116.0756 62.7499 31.6483 175.2487 75 D 4.3696 8.3139 119.5438 57.0757 40.3949 177.6328 76 H 4.6545 7.4215 114.4599 56.4722 29.9709 176.3956 77 L 4.3486 7.9343 120.0856 54.1161 42.1280 176.6998 78 S 4.4960 7.5164 114.1485 59.1751 63.6589 174.7264 79 G 3.9741 8.9688 111.5177 45.4350 0.0000 173.3973 80 F 4.1130 8.2425 123.6414 57.8809 39.5955 173.7152 81 N 4.8193 8.2173 126.7869 52.2634 38.2245 174.1529 82 V 4.1071 7.4154 125.0924 60.7069 34.3821 176.6054 83 C 3.7272 8.4564 122.3242 60.1889 26.8024 173.8056 84 N 4.3702 8.7069 120.5766 55.6066 38.5614 175.4299 85 R 4.6806 7.6766 115.9963 54.9218 33.8132 174.5117 86 Y 4.8393 8.2785 118.0507 55.9631 40.1977 175.9017 87 L 4.3195 9.0224 125.4944 54.9764 43.4687 176.4799 88 V 4.6787 8.5438 122.6916 61.0761 33.7369 174.5988 89 V 4.9064 8.4295 127.2702 59.9157 33.5125 174.9153 90 L 4.8400 8.9878 124.7659 52.4292 46.0275 175.6906 91 Y 4.6424 8.2569 119.0473 58.1462 39.0910 175.2148 92 Y 4.6135 9.4301 124.9949 58.5870 40.5284 175.2834 93 N 4.5132 7.3114 121.6874 51.1956 41.9249 174.9612 94 A 3.8878 8.5312 129.6927 54.4714 18.2665 178.6885 95 N 4.2126 7.9868 114.2785 56.8401 39.5276 176.4556 96 R 3.9278 8.8525 120.1115 59.5705 29.9403 178.1055 97 A 3.7506 7.6082 119.1961 54.3721 18.2993 178.5099 98 F 4.6993 7.8554 115.0271 57.2770 40.0534 178.2551 99 Q 4.0396 7.8479 120.4025 59.2717 28.5742 178.6906 100 K 4.1992 7.8920 114.1658 58.0763 32.4034 177.0403 101 M 4.3484 7.6105 120.2857 54.2572 32.8365 176.1062 102 D 4.5227 8.6538 122.4290 53.4563 40.4447 177.1157 103 T 3.8095 8.7150 115.1170 65.7181 67.6689 175.8868 104 K 4.0286 8.2591 121.7368 59.6507 32.2146 179.1258 105 K 4.8105 7.9938 119.5932 58.7876 31.9183 179.3623 106 K 3.9169 7.9787 119.6680 59.3471 32.2083 178.3279 107 E 3.9126 7.8088 118.2740 59.2030 29.5533 178.6652 108 E 3.8558 7.9256 118.2145 59.5287 29.7369 178.8615 109 Q 3.7843 8.0942 119.6247 59.3219 28.9952 178.7871 110 L 3.8676 7.8642 119.6909 57.6298 41.6758 179.2118 111 K 3.8704 7.9975 119.5699 59.5573 32.0043 178.8232 112 L 3.9160 7.9581 119.1658 57.7974 41.6270 179.4988 113 L 4.2170 7.7821 118.3705 57.2390 41.4719 179.5815 114 K 3.9419 7.9758 119.8259 59.2244 32.0367 178.2927 115 E 3.8420 7.9291 118.2151 59.4032 29.6574 178.4473 116 K 3.8557 7.7819 117.9825 58.5611 32.3490 177.3852 117 Y 4.8826 7.5510 113.7370 56.5394 39.6969 176.7762 118 G 3.9565 8.0936 107.4738 45.6332 0.0000 173.7881 119 I 3.8874 7.6680 112.6369 59.9681 38.2178 175.4149 120 N 4.3399 8.7639 122.0244 54.5182 39.1161 174.1984 121 T 4.5297 8.2693 117.1224 61.6211 68.9448 173.6204 122 D 4.5725 7.8543 119.6496 54.0986 41.4979 174.1091 123 P 4.4965 0.0000 0.0000 61.4473 32.0661 174.8140 124 P 4.3457 0.0000 0.0000 62.6107 31.7885 177.0468 125 K 4.1767 8.5928 120.4959 56.8362 31.9470 176.9186 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 12 R 8.24 4.42 0.00 1.84 2.00 0.00 3.35 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 13 L 8.04 4.59 0.00 1.69 1.54 0.70 -0.06 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 14 P 0.00 4.31 0.00 2.15 2.04 0.00 3.55 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 2.11 2.09 0.00 15 P 0.00 4.26 0.00 2.14 2.16 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 16 E 7.97 4.08 0.00 2.11 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 0.00 2.14 2.34 0.00 17 V 6.72 2.00 1.63 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 0.48 0.00 0.00 0.62 0.00 0.00 18 N 7.37 4.58 0.00 2.78 2.83 0.00 0.00 7.07 7.65 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 19 R 8.50 4.25 0.00 1.87 2.19 0.00 3.19 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 20 I 8.39 4.84 1.90 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.97 0.00 0.00 21 L 9.38 5.25 0.00 1.81 1.58 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.53 4.98 0.00 3.05 2.83 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 23 I 8.01 4.83 1.63 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 1.06 0.43 0.95 0.00 0.00 24 R 8.56 4.60 0.00 1.47 1.66 0.00 3.33 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.00 25 N 8.51 4.02 0.00 2.81 2.88 0.00 0.00 6.89 7.78 0.00 0.00 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 7.81 4.45 0.00 1.80 1.52 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.43 0.00 2.22 1.91 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 28 Y 8.27 4.40 0.00 2.93 2.91 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 0.00 0.00 0.00 29 K 8.00 4.28 0.00 1.78 1.88 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.47 7.81 30 I 7.34 3.96 2.03 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 1.53 0.79 1.02 0.00 0.00 31 T 8.96 4.50 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 1.30 0.00 0.00 32 A 8.52 4.10 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 33 E 8.21 4.01 0.00 2.07 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 2.43 2.43 0.00 34 E 8.32 4.04 0.00 2.30 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 2.37 2.39 0.00 35 M 8.36 4.24 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.96 0.00 36 Y 8.29 3.84 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 37 D 8.31 4.39 0.00 3.00 2.82 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 0.00 0.00 0.00 38 I 8.17 3.59 1.65 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 0.75 -0.19 0.00 0.00 39 F 8.46 4.18 0.00 3.05 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 40 G 8.74 3.92 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 0.00 41 K 7.45 3.89 0.00 1.33 1.44 0.00 1.46 0.00 0.00 0.76 0.00 0.00 2.66 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.62 1.12 7.81 42 Y 8.64 4.47 0.00 3.06 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 43 G 7.37 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 0.00 0.00 0.00 0.00 44 P 0.00 4.27 0.00 2.18 2.11 0.00 3.89 0.00 0.00 3.86 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 45 I 8.39 4.24 2.02 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 0.68 0.00 0.00 46 R 9.46 4.44 0.00 1.75 1.94 0.00 3.31 0.00 0.00 3.10 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 47 Q 7.42 4.70 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 I 8.32 4.89 1.67 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.22 0.70 0.00 0.00 49 R 8.93 4.66 0.00 1.84 1.87 0.00 3.07 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 50 V 8.42 4.57 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 0.81 0.00 0.00 0.92 0.00 0.00 51 G 9.14 3.98 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 0.00 0.00 0.00 52 N 8.58 5.19 0.00 2.75 2.82 0.00 0.00 5.93 7.71 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 53 T 7.75 4.71 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 1.21 0.00 0.00 54 P 0.00 4.13 0.00 2.04 2.16 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 55 E 8.12 4.23 0.00 1.97 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 2.30 0.00 56 T 7.46 4.51 4.27 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 1.25 0.00 0.00 57 R 7.76 3.98 0.00 1.33 1.69 0.00 3.03 0.00 0.00 2.74 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 58 G 9.73 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.22 5.10 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 1.17 0.00 0.00 60 A 8.00 4.78 1.10 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 0.00 0.00 61 Y 8.88 5.13 0.00 2.87 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 62 V 8.69 4.30 1.52 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 -0.57 0.00 0.00 0.46 0.00 0.00 63 V 8.30 4.73 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 0.77 0.00 0.00 0.85 0.00 0.00 64 Y 8.74 4.59 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.22 0.00 2.02 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 2.52 2.47 0.00 66 D 8.08 4.97 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 3.70 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.40 0.00 0.00 68 F 8.69 4.12 0.00 3.48 3.11 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 69 D 8.43 4.35 0.00 2.82 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 70 A 7.71 3.31 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 71 K 8.17 4.57 0.00 1.81 1.98 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.41 7.81 72 N 8.01 4.20 0.00 3.16 2.92 0.00 0.00 7.14 7.58 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 73 A 7.79 2.63 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 74 C 7.76 3.83 0.00 2.69 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 75 D 8.31 4.37 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.42 4.65 0.00 2.71 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.93 4.35 0.00 1.61 1.53 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.52 4.50 0.00 3.97 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 79 G 8.97 3.97 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 0.00 80 F 8.24 4.11 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.22 4.82 0.00 2.27 2.27 0.00 0.00 7.12 7.71 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 82 V 7.42 4.11 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 0.88 0.00 0.00 0.94 0.00 0.00 83 C 8.46 3.73 0.00 3.05 2.88 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 84 N 8.71 4.37 0.00 2.61 2.74 0.00 0.00 6.67 7.65 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 85 R 7.68 4.68 0.00 1.74 1.72 0.00 3.16 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 86 Y 8.28 4.84 0.00 2.78 2.88 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 87 L 9.02 4.32 0.00 1.74 1.69 1.12 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.54 4.68 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 0.90 0.00 0.00 0.93 0.00 0.00 89 V 8.43 4.91 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 0.86 0.00 0.00 0.87 0.00 0.00 90 L 8.99 4.84 0.00 1.65 1.62 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.26 4.64 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.43 4.61 0.00 3.28 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 93 N 7.31 4.51 0.00 2.66 2.43 0.00 0.00 6.92 8.41 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 94 A 8.53 3.89 1.49 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 0.00 0.00 95 N 7.99 4.21 0.00 2.99 2.99 0.00 0.00 6.89 7.65 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 96 R 8.85 3.93 0.00 1.84 1.83 0.00 2.83 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 97 A 7.61 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.86 4.70 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 99 Q 7.85 4.04 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 100 K 7.89 4.20 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.46 7.81 101 M 7.61 4.35 0.00 2.02 2.19 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 2.80 2.57 0.00 102 D 8.65 4.52 0.00 2.91 2.83 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 0.00 103 T 8.71 3.81 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 1.21 0.00 0.00 104 K 8.26 4.03 0.00 1.85 1.89 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.65 7.81 105 K 7.99 4.81 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 106 K 7.98 3.92 0.00 2.01 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.82 7.81 107 E 7.81 3.91 0.00 2.25 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 0.00 2.29 2.34 0.00 108 E 7.93 3.86 0.00 2.14 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 2.30 2.29 0.00 109 Q 8.09 3.78 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 110 L 7.86 3.87 0.00 1.69 1.66 0.96 0.46 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 0.00 111 K 8.00 3.87 0.00 1.87 1.99 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.40 1.61 7.81 112 L 7.96 3.92 0.00 1.86 1.62 0.94 0.36 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 0.00 113 L 7.78 4.22 0.00 1.77 1.88 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.98 3.94 0.00 1.98 1.77 0.00 1.64 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 1.44 1.58 7.81 115 E 7.93 3.84 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 116 K 7.78 3.86 0.00 1.56 0.93 0.00 1.53 0.00 0.00 1.05 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.66 1.13 7.81 117 Y 7.55 4.88 0.00 3.22 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 0.00 118 G 8.09 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 0.00 119 I 7.67 3.89 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.97 0.00 0.00 120 N 8.76 4.34 0.00 2.72 2.81 0.00 0.00 6.78 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.27 4.53 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 1.21 0.00 0.00 122 D 7.85 4.57 0.00 2.71 2.59 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 0.00 123 P 0.00 4.50 0.00 2.04 1.98 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 124 P 0.00 4.35 0.00 2.05 2.00 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 125 K 8.59 4.18 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.38 7.81