NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1732 8.5445 116.7514 55.7383 30.1833 174.7585 3 L 4.0596 8.2206 125.0790 52.6300 40.9257 174.6278 4 T 4.4872 8.2604 118.7677 58.3650 71.0880 171.2489 5 P 4.5197 0.0000 0.0000 66.0418 31.0538 176.7280 6 E 4.2695 8.1589 114.1901 59.6301 30.3538 184.6055 7 V 3.7572 7.9835 117.4915 64.4786 32.0285 181.1007 8 L 4.4470 7.2004 121.4440 55.3431 41.2037 180.1607 9 T 4.6535 7.4466 112.1570 60.5053 68.8260 177.6408 10 V 3.7703 7.4953 123.5502 61.0573 33.0413 176.9343 11 P 4.6953 0.0000 0.0000 62.2372 31.2934 175.1184 12 L 4.4568 7.4826 121.5220 57.1370 49.8100 174.8402 *22 T 4.2313 7.6002 110.4769 61.1012 70.7512 177.7138 23 E 4.4658 8.6525 122.9497 60.8979 29.5257 180.7437 24 K 4.5377 8.1058 124.6406 60.6117 32.0780 185.0000 25 Q 4.1683 7.9932 119.9130 60.4791 27.6920 181.6531 26 Y 4.4668 8.1550 123.4392 61.0782 38.7016 178.3191 27 L 4.0174 7.6186 123.4938 59.2453 41.3691 182.1386 28 E 4.4481 7.6561 116.9807 61.2933 29.9695 183.7802 29 G 3.9256 8.0186 107.8181 47.0730 0.0000 176.3988 30 K 3.6989 7.4210 126.6341 59.0621 31.8182 184.3011 31 R 4.6654 7.3943 118.8909 59.9868 29.1162 183.2716 32 L 4.6003 7.5784 119.5578 58.7006 41.8767 183.2557 33 F 4.5701 8.2896 120.8546 59.9949 39.3163 176.9638 34 Q 4.5151 8.0571 116.5331 55.9261 29.1632 181.3541 *35 Y 4.6035 7.6411 113.3901 57.7149 38.7602 181.9850 36 A 4.6108 7.5799 122.3153 53.8398 20.3766 176.5236 37 C 4.7777 7.8756 114.8015 57.2850 46.1915 178.5712 38 A 3.9816 7.3638 120.6628 54.4277 17.9237 179.0004 39 S 4.3082 7.8712 113.9674 60.4953 62.3483 181.9540 40 C 4.9154 7.9531 112.9776 56.9677 43.6430 179.4967 41 H 5.0351 7.5288 117.7650 55.5904 29.1771 175.5148 42 V 3.6790 7.8434 116.7983 61.4025 32.0601 178.3673 43 G 3.9067 9.3256 116.1279 45.8879 0.0000 173.3267 44 G 3.9554 8.4951 109.9683 45.3190 0.0000 174.7049 45 I 4.2471 7.3334 122.8420 61.4047 39.8355 174.2799 46 T 4.9235 8.4435 110.3296 62.5099 72.1224 170.6493 47 K 4.4598 8.7009 128.6121 55.0699 33.3851 175.2664 48 T 4.8163 7.5071 110.7100 60.4159 69.4593 179.0266 49 N 4.8760 7.7587 119.6621 52.0284 41.5974 176.2828 50 P 4.5266 0.0000 0.0000 62.7807 29.4238 176.0468 51 S 3.7596 8.3468 122.5284 58.9177 59.4114 172.9861 52 L 4.8414 7.6067 128.5855 53.1583 41.6322 176.5133 53 D 4.7898 7.9304 123.7450 53.8307 41.1853 178.0240 54 L 4.7160 8.2619 116.6974 56.1395 41.4459 176.2559 55 R 4.1701 7.9322 120.2282 57.9253 29.8720 180.9611 56 T 4.2638 8.5860 111.3966 62.7628 68.0909 176.3819 57 E 4.6781 8.1343 118.2039 57.4335 31.5974 182.2355 58 T 4.5334 8.2613 115.4898 65.8700 69.6452 182.8744 59 L 4.0835 7.7856 123.2101 59.0856 40.9625 181.9347 60 A 4.4119 8.1134 121.1963 54.9014 18.4795 179.0363 61 L 4.4138 7.1072 118.5640 55.8529 41.4621 181.6185 62 A 4.4457 7.6898 124.2456 53.7646 19.2734 178.5257 63 T 4.4301 8.0177 112.6245 59.2338 69.7538 169.9623 64 P 4.5945 0.0000 0.0000 60.1560 31.9279 173.7172 65 P 4.4350 0.0000 0.0000 64.7027 30.6036 177.9289 66 R 4.6810 8.4627 126.5759 56.1135 29.8920 173.2363 67 D 4.8856 8.2139 117.8908 54.6612 40.2595 178.6185 68 N 5.2961 7.9581 120.7964 52.0925 41.1052 177.4646 69 I 4.4493 8.0902 116.1572 64.8965 36.9158 173.1220 70 E 4.7391 8.2067 115.1760 59.3784 30.8047 182.7984 71 G 4.1057 7.9838 105.7917 48.1494 0.0000 176.5964 72 L 4.2344 7.8952 126.5390 59.6601 40.8143 182.4845 73 V 3.9985 7.8242 120.6276 66.9027 32.0480 181.7483 74 D 4.7984 8.1815 123.6268 58.8720 39.8485 180.7349 *75 Y 4.5236 7.7261 122.0398 62.4149 36.4826 182.3259 76 M 4.4789 7.7996 121.5559 60.8825 31.3275 184.2150 77 K 4.2074 8.0963 122.4064 57.7433 32.5079 180.3812 78 N 4.8075 7.7022 120.5692 49.8905 36.0297 175.2144 79 P 4.5919 0.0000 0.0000 62.5857 31.9511 177.8593 80 T 4.9234 8.2192 114.8622 60.0858 72.4947 174.0087 81 T 4.5877 7.8815 107.0017 62.3089 68.4464 167.3150 *82 Y 3.6146 7.5275 126.0184 58.5876 36.3113 173.6077 83 D 4.1973 8.1218 123.0414 54.4094 40.7150 179.2550 84 G 3.9203 7.6720 107.0053 48.0998 0.0000 174.9671 85 E 4.3362 8.5966 117.6561 57.3823 31.6887 179.6520 86 Q 4.3121 7.9708 121.7728 53.6236 28.3058 177.6204 87 E 4.0721 8.9043 123.2820 56.1081 30.3384 175.0987 88 I 4.4128 8.0885 127.4385 58.3367 35.3213 173.3610 89 A 4.4417 7.9406 126.0436 54.1130 19.1290 178.9390 90 E 4.6335 8.0336 112.1043 56.4109 32.8006 184.0811 91 V 3.8515 8.0473 113.4673 64.0743 32.0562 180.7553 92 H 4.8864 7.4904 120.6985 53.8858 31.1959 173.3656 93 P 4.3340 0.0000 0.0000 62.7469 31.1642 176.1703 94 S 4.8680 8.3612 120.6605 55.6557 66.5109 172.4529 95 L 4.1743 8.0358 120.8836 58.4201 40.7156 179.0274 96 R 4.2447 8.0865 116.3711 59.0180 30.2394 183.1567 97 S 4.6803 7.4073 114.7753 56.8631 60.9208 179.1649 98 A 4.3722 8.0326 129.6089 54.6384 19.0950 179.9839 99 D 4.4674 8.2763 116.9982 56.8454 40.2864 183.9948 100 I 4.0180 7.9124 118.8363 62.7941 36.1720 179.4299 *101 F 4.4426 7.9662 126.8470 55.5725 36.1944 176.4005 102 P 4.6066 0.0000 0.0000 62.5220 31.2183 177.8540 103 K 4.2329 7.7579 122.5928 59.0461 31.8975 183.1955 104 M 4.5864 7.9573 119.1513 54.9917 31.3802 180.7197 105 R 4.0299 8.1253 123.2553 60.7069 29.7993 181.7731 106 N 4.6099 8.1958 116.6167 54.8981 38.1652 178.8932 107 L 4.1946 7.4040 119.8575 55.3654 41.6233 180.6989 108 T 4.8682 8.1048 117.0439 59.4205 71.2773 174.2852 109 E 4.3393 8.8322 115.9973 59.5544 29.8725 174.4316 110 K 4.2272 7.8186 122.8854 58.8548 31.7167 183.6531 111 D 4.6835 8.0803 118.6480 54.5389 40.6349 180.9384 112 L 4.0953 8.0268 121.3908 58.9520 41.1119 185.0000 113 V 3.8858 7.7270 114.5677 61.6814 32.2764 179.5250 114 A 4.2473 7.9921 123.5459 56.6259 18.5948 180.2209 115 I 3.7337 7.4320 116.5968 64.1144 35.1546 180.0267 116 A 4.2296 7.5261 119.8970 55.6094 18.5769 179.7451 117 G 3.6462 7.7288 103.0443 47.1351 0.0000 175.2162 118 H 4.4975 8.1165 123.2923 59.6307 29.6390 177.9166 119 I 3.6756 6.9855 124.1195 65.4645 35.4243 181.2422 120 L 4.3951 7.4431 125.5039 60.0470 41.1196 182.0730 121 V 4.0308 7.7715 123.0721 66.1895 31.3248 180.7735 122 E 4.4006 7.9025 119.1881 60.9896 29.5948 181.1809 123 P 4.7397 0.0000 0.0000 67.1382 31.1122 182.7931 124 K 4.3192 7.8415 119.0282 57.8962 32.1743 183.1539 125 I 4.0945 7.6147 119.6497 60.1592 35.5295 178.8291 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 E 8.54 4.17 0.00 2.01 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 2.13 1.88 0.00 3 L 8.22 4.06 0.00 1.74 1.53 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.26 4.49 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 5 P 0.00 4.52 0.00 2.08 1.99 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 6 E 8.16 4.27 0.00 1.98 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 2.21 1.87 0.00 7 V 7.98 3.76 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 0.86 0.00 0.00 0.93 0.00 0.00 8 L 7.20 4.45 0.00 1.76 1.55 0.92 0.85 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 9 T 7.45 4.65 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 10 V 7.50 3.77 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 0.86 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.70 0.00 1.99 1.96 0.00 3.73 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 2.01 1.58 0.00 12 L 7.48 4.46 0.00 1.60 1.35 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 *22 T 7.60 4.23 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 23 E 8.65 4.47 0.00 1.97 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 1.94 0.00 24 K 8.11 4.54 0.00 1.75 1.84 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.06 7.81 25 Q 7.99 4.17 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 26 Y 8.16 4.47 0.00 3.04 3.02 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 0.00 0.00 0.00 27 L 7.62 4.02 0.00 1.86 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.66 4.45 0.00 2.02 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 2.24 2.19 0.00 29 G 8.02 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 30 K 7.42 3.70 0.00 1.90 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 31 R 7.39 4.67 0.00 2.03 1.85 0.00 3.22 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 32 L 7.58 4.60 0.00 1.64 1.69 0.92 0.92 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 33 F 8.29 4.57 0.00 3.15 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 34 Q 8.06 4.52 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.57 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 *35 Y 7.64 4.60 0.00 2.28 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 0.00 0.00 0.00 36 A 7.58 4.61 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 C 7.88 4.78 0.00 2.72 3.02 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 0.00 0.00 0.00 38 A 7.36 3.98 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 39 S 7.87 4.31 0.00 3.64 3.78 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 40 C 7.95 4.92 0.00 2.65 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 41 H 7.53 5.04 0.00 2.97 3.20 0.00 5.72 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.84 3.68 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 0.73 0.00 0.00 0.93 0.00 0.00 43 G 9.33 3.91 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 0.00 0.00 0.00 44 G 8.50 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 45 I 7.33 4.25 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 0.45 0.91 0.00 0.00 46 T 8.44 4.92 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 47 K 8.70 4.46 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 0.98 7.81 48 T 7.51 4.82 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 49 N 7.76 4.88 0.00 2.69 2.55 0.00 0.00 6.85 7.75 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 50 P 0.00 4.53 0.00 2.08 1.90 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 51 S 8.35 3.76 0.00 3.76 3.77 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 52 L 7.61 4.84 0.00 1.59 1.44 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.93 4.79 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.72 0.00 1.65 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.93 4.17 0.00 1.73 1.84 0.00 3.22 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 56 T 8.59 4.26 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 57 E 8.13 4.68 0.00 1.94 1.83 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 2.11 1.82 0.00 58 T 8.26 4.53 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 59 L 7.79 4.08 0.00 1.65 1.70 0.92 0.91 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 A 8.11 4.41 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 61 L 7.11 4.41 0.00 1.60 1.56 0.92 0.81 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 62 A 7.69 4.45 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 63 T 8.02 4.43 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 64 P 0.00 4.59 0.00 2.08 1.86 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 65 P 0.00 4.43 0.00 2.08 1.91 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 66 R 8.46 4.68 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 67 D 8.21 4.89 0.00 2.68 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 68 N 7.96 5.30 0.00 2.68 2.62 0.00 0.00 6.62 7.72 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 69 I 8.09 4.45 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 1.38 1.19 0.91 0.00 0.00 70 E 8.21 4.74 0.00 2.05 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 2.16 1.92 0.00 71 G 7.98 4.11 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 0.00 0.00 0.00 72 L 7.90 4.23 0.00 1.67 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.82 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 0.94 0.00 0.00 0.93 0.00 0.00 74 D 8.18 4.80 0.00 2.68 2.70 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 0.00 0.00 0.00 0.00 *75 Y 7.73 4.52 0.00 2.44 2.33 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 76 M 7.80 4.48 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 77 K 8.10 4.21 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.00 7.81 78 N 7.70 4.81 0.00 2.77 2.66 0.00 0.00 6.99 7.45 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 79 P 0.00 4.59 0.00 2.08 1.88 0.00 3.55 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 80 T 8.22 4.92 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 81 T 7.88 4.59 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 *82 Y 7.53 3.61 0.00 2.39 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 0.00 0.00 0.00 0.00 83 D 8.12 4.20 0.00 2.69 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 84 G 7.67 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 85 E 8.60 4.34 0.00 1.97 1.83 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 2.13 1.83 0.00 86 Q 7.97 4.31 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 87 E 8.90 4.07 0.00 1.98 1.81 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 2.23 1.87 0.00 88 I 8.09 4.41 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 1.35 0.60 0.91 0.00 0.00 89 A 7.94 4.44 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 90 E 8.03 4.63 0.00 1.95 1.81 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 2.10 1.82 0.00 91 V 8.05 3.85 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 0.87 0.00 0.00 0.93 0.00 0.00 92 H 7.49 4.89 0.00 3.19 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.33 0.00 2.13 1.83 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 94 S 8.36 4.87 0.00 3.58 3.69 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 95 L 8.04 4.17 0.00 1.52 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.09 4.24 0.00 1.82 1.87 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 97 S 7.41 4.68 0.00 3.58 3.78 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 98 A 8.03 4.37 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 99 D 8.28 4.47 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 0.00 100 I 7.91 4.02 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 1.12 0.91 0.00 0.00 *101 F 7.97 4.44 0.00 2.21 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 0.00 0.00 0.00 0.00 102 P 0.00 4.61 0.00 2.08 1.96 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 103 K 7.76 4.23 0.00 1.90 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.25 7.81 104 M 7.96 4.59 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.09 0.00 105 R 8.13 4.03 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 106 N 8.20 4.61 0.00 2.74 2.75 0.00 0.00 6.54 7.79 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 0.00 107 L 7.40 4.19 0.00 1.55 1.49 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.10 4.87 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 0.00 109 E 8.83 4.34 0.00 1.98 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 2.23 1.87 0.00 110 K 7.82 4.23 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.25 7.81 111 D 8.08 4.68 0.00 2.60 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 0.00 112 L 8.03 4.10 0.00 1.57 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.73 3.89 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 0.70 0.00 0.00 0.93 0.00 0.00 114 A 7.99 4.25 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 0.00 115 I 7.43 3.73 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 1.45 0.70 0.91 0.00 0.00 116 A 7.53 4.23 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 0.00 117 G 7.73 3.65 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 0.00 0.00 0.00 118 H 8.12 4.50 0.00 3.22 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 6.99 3.68 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 1.38 0.80 0.91 0.00 0.00 120 L 7.44 4.40 0.00 1.74 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.77 4.03 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 0.71 0.00 0.00 0.93 0.00 0.00 122 E 7.90 4.40 0.00 2.01 1.90 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 2.26 2.19 0.00 123 P 0.00 4.74 0.00 2.16 1.98 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 124 K 7.84 4.32 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.25 7.81 125 I 7.61 4.09 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 1.13 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.