NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4594 8.4045 118.7958 53.7248 33.7467 176.0261 2 R 4.0820 7.8618 117.2411 56.2779 30.2284 180.5190 3 R 4.0876 8.5538 119.4617 55.9709 30.9671 175.9483 4 V 4.3010 8.2709 121.1655 61.6222 31.9343 175.1156 5 E 4.8053 8.8111 122.8548 55.6201 31.9306 174.7386 6 K 5.4315 8.3514 119.5494 55.0026 36.0759 175.0508 7 V 4.9911 9.3443 122.8753 61.3033 35.1974 174.0119 8 I 4.9905 8.8403 128.3041 59.6648 40.0090 174.3690 9 I 4.8730 8.8922 128.3540 59.9367 39.1520 175.3994 10 V 4.9068 8.7201 119.4933 58.6023 35.5998 175.9638 11 E 4.1582 8.1753 121.2052 56.9927 31.0771 176.0160 12 G 4.4480 8.1617 106.2230 42.5246 0.0000 173.2574 13 R 3.8554 8.5766 119.3785 59.6026 30.1715 179.0788 14 S 4.3282 7.9998 114.2599 61.3745 62.8332 176.2923 15 D 4.2787 7.8710 121.4887 57.1169 40.5805 178.3492 16 K 3.8640 8.0717 120.0915 59.6532 32.3132 178.7598 17 Q 3.9442 8.1142 118.2511 58.8863 28.3881 178.8786 18 K 3.8983 7.6661 119.2470 59.2567 32.5935 178.8159 19 V 3.5680 7.8099 118.3621 65.9640 29.9279 177.8455 20 A 3.9529 8.2865 120.5977 55.0902 17.9415 179.2356 21 A 4.0407 7.6682 117.5703 54.3145 18.7884 179.2568 22 V 3.9769 7.4378 110.3204 61.7842 32.5157 176.6134 23 L 4.5048 6.6608 116.2859 54.9293 41.9239 176.1039 24 N 5.1160 8.8708 120.1283 52.8316 39.6451 173.7608 25 E 4.7696 8.0103 112.0841 53.1999 32.7279 172.6071 26 P 4.4389 0.0000 0.0000 62.7514 31.8630 175.8631 27 V 4.6956 8.0598 122.3638 60.9037 34.8582 174.5702 28 V 3.9436 8.6108 127.9550 62.6313 32.7141 174.5180 29 I 4.8809 8.3558 128.3187 59.5726 39.4687 174.8267 30 V 4.3307 8.5839 127.4177 61.2551 33.6837 173.7115 31 C 5.2547 8.6054 128.0409 58.1087 32.2032 173.4300 32 T 4.1220 8.9865 116.2767 61.0945 69.9602 174.3326 33 N 4.1406 8.9663 118.6320 54.3009 36.6051 174.0892 34 G 3.9661 8.0836 107.1087 45.5417 0.0000 173.4620 35 T 4.2993 8.2308 114.2258 61.3255 69.8214 173.9534 36 I 4.7418 7.8133 114.7613 58.0317 41.0171 175.7172 37 S 4.3766 8.3398 116.3478 58.2565 64.9106 174.9384 38 D 4.3072 8.6244 122.4979 57.5582 40.5938 178.9188 39 A 3.9248 7.9421 120.7404 55.1747 18.3548 179.5027 40 R 3.8070 8.1491 117.2402 59.3746 30.1043 178.5342 41 L 3.8100 7.9266 120.1876 58.1518 42.0704 178.8217 42 E 3.7651 8.3172 118.8445 59.1352 29.2867 178.9311 43 E 3.8322 8.1919 119.4084 59.1170 29.7378 178.6439 44 L 3.8650 8.0037 120.1938 58.1227 41.9560 178.6729 45 A 3.2467 7.6624 119.8134 55.0323 18.2437 179.0847 46 D 4.3696 7.9320 117.2768 57.5940 40.6959 178.8970 47 E 4.0598 8.2173 118.0101 58.5579 29.6588 178.3567 48 L 4.7101 7.7978 117.2243 53.1692 41.9512 175.7178 49 E 4.1993 7.4316 121.6246 57.8872 29.7822 177.2334 50 G 3.9369 9.2329 114.7373 45.1125 0.0000 172.5296 51 Y 4.6100 7.6731 116.7802 56.6699 40.0564 175.2353 52 D 4.5535 9.3083 122.8067 53.9015 42.1684 175.0233 53 V 4.9478 8.0960 126.3873 61.3667 34.2346 173.8435 54 Y 5.0826 9.0766 124.4733 56.0554 42.0125 174.1332 55 L 4.6699 8.8347 125.7543 53.4045 44.1022 174.8244 56 L 4.9676 9.0001 129.6241 52.1479 42.1404 175.4214 57 A 4.4248 7.7606 125.4079 50.4213 20.6154 176.4313 58 D 4.5472 9.0012 118.9398 53.7512 42.4360 177.2018 59 A 4.6967 8.5466 125.9839 51.1697 17.3338 175.7446 60 D 4.9117 7.2553 122.9974 49.9680 44.8107 176.0174 61 E 3.8894 8.6851 118.5545 59.4865 29.4616 178.3621 62 A 4.1097 8.0627 120.3848 55.0323 18.4129 179.5345 63 G 3.8591 8.6500 105.9541 47.5313 0.0000 175.7858 64 E 4.0277 8.4109 121.2361 58.9388 29.4296 179.5277 65 K 3.9958 8.2305 118.6129 59.3608 32.0609 179.0010 66 L 4.0874 8.3291 120.9071 58.4163 41.9273 179.3085 67 R 3.9867 8.2864 118.1176 59.3296 30.0490 179.3148 68 R 3.9822 8.2336 117.9158 59.2106 29.9842 178.8419 69 Q 4.0269 8.4341 119.4522 59.4215 29.0930 178.4730 70 F 4.0820 9.0169 119.2037 60.6098 38.7174 177.9049 71 R 4.1271 8.3650 117.2048 59.2080 29.8738 179.1320 72 R 4.1360 7.9415 117.0228 58.9939 30.3678 178.0244 73 M 4.6010 8.2175 115.1777 54.8224 34.9983 176.1473 74 F 5.2324 8.4409 121.5134 56.4256 39.6119 173.3851 75 P 4.4467 0.0000 0.0000 65.2242 31.9002 178.2913 76 E 3.9627 8.1814 116.1596 58.0510 29.7018 176.5257 77 A 3.9149 7.0257 121.8623 51.2724 18.9877 176.8512 78 E 4.1582 8.7105 125.2956 56.2098 31.0277 175.2622 79 H 4.8668 8.8982 124.3445 55.3041 29.3219 174.6078 80 L 4.9043 8.5818 122.8424 53.0996 45.0860 175.3127 81 Y 4.7658 8.3701 118.3559 56.1141 41.3533 175.7765 82 I 4.2377 8.2457 117.5767 59.4743 39.3656 174.8723 83 D 4.4507 9.0027 120.5951 54.1330 41.3898 177.1093 84 R 4.0624 8.7344 123.7839 58.9035 29.1231 178.4633 85 A 3.8814 8.1345 121.3960 55.0176 18.3197 178.3887 86 Y 4.2563 7.4400 113.2720 58.3688 38.4281 175.8593 87 R 4.2675 8.1807 124.8632 56.2305 30.6528 175.0843 88 E 5.1166 7.4999 116.0637 54.0054 32.7207 177.1193 89 V 3.4918 8.9700 122.5925 66.1152 31.6705 178.2553 90 A 3.8802 8.4199 121.3354 54.7345 18.1648 177.8680 91 A 4.2999 7.7508 115.9445 52.1714 19.4651 177.2635 92 A 3.4779 7.3566 119.6124 50.2766 19.4289 176.5933 93 P 3.5145 0.0000 0.0000 62.1343 32.8645 177.7054 94 I 3.4058 7.2471 116.3647 64.0442 37.2148 178.5096 95 W 4.8050 6.8184 118.9425 58.5040 28.1127 177.8439 96 H 4.2220 7.4217 119.1634 59.1779 29.4193 176.6855 97 L 3.7617 7.6766 121.9568 57.9934 41.8343 178.6655 98 A 3.9515 8.1647 120.8786 55.3160 18.2447 179.6981 99 Q 3.9516 7.8525 116.1054 59.0366 28.4193 178.9301 100 V 3.5728 7.7252 119.2305 66.1936 31.5160 178.1477 101 L 4.0358 8.0449 118.6246 57.6248 41.4205 179.3070 102 L 4.2084 8.4774 119.3991 58.0736 41.3526 179.8753 103 R 4.0145 8.1902 116.7049 58.4194 30.0084 177.8529 104 A 4.5146 7.3544 117.2640 51.3910 18.9741 177.2216 105 R 3.8801 7.8798 115.7889 57.5202 27.9149 176.4828 106 F 4.6634 8.0498 115.7741 57.0594 40.2280 175.2734 107 D 4.7850 9.4247 122.0237 54.1273 42.0027 176.1205 108 V 4.9583 8.1632 114.7662 59.1166 35.8899 175.6019 109 R 4.0400 9.0052 122.0546 56.3392 30.6684 178.2305 110 I 3.7159 8.7243 124.2573 64.4828 37.3400 178.2179 111 E 4.0995 8.1550 116.8416 58.6723 29.7993 177.7057 112 S 4.5321 8.1283 113.5821 59.3027 63.8597 176.3052 113 L 4.0314 7.9275 121.8295 57.8685 41.6112 177.6585 114 M 4.0674 7.8464 117.0532 55.5022 32.7254 175.6776 115 R 3.3677 8.1652 124.4285 55.2307 31.2740 176.1304 116 G 3.1725 5.7724 109.3887 43.4643 0.0000 173.7266 117 R 4.0030 8.3194 118.0306 56.7544 31.1163 175.4678 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 1 M 8.40 4.46 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 R 7.86 4.08 0.00 1.91 1.74 0.00 3.24 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 3 R 8.55 4.09 0.00 1.82 1.75 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 4 V 8.27 4.30 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 1.15 0.00 0.00 1.00 0.00 0.00 5 E 8.81 4.81 0.00 2.00 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 2.27 2.33 0.00 6 K 8.35 5.43 0.00 1.92 2.02 0.00 1.42 0.00 0.00 0.94 0.00 0.00 2.61 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.44 7.81 7 V 9.34 4.99 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 1.10 0.00 0.00 0.73 0.00 0.00 8 I 8.84 4.99 1.78 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.79 0.00 0.00 9 I 8.89 4.87 1.77 0.00 0.00 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 1.32 0.80 0.89 0.00 0.00 10 V 8.72 4.91 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 0.96 0.00 0.00 0.91 0.00 0.00 11 E 8.18 4.16 0.00 1.99 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 0.00 2.31 2.12 0.00 12 G 8.16 4.45 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 0.00 13 R 8.58 3.86 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 14 S 8.00 4.33 0.00 3.87 3.86 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 15 D 7.87 4.28 0.00 2.81 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 16 K 8.07 3.86 0.00 1.76 1.96 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.60 7.81 17 Q 8.11 3.94 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 18 K 7.67 3.90 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 19 V 7.81 3.57 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 0.75 0.00 0.00 0.85 0.00 0.00 20 A 8.29 3.95 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 21 A 7.67 4.04 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 22 V 7.44 3.98 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 0.70 0.00 0.00 0.85 0.00 0.00 23 L 6.66 4.50 0.00 1.58 1.59 0.78 0.67 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 24 N 8.87 5.12 0.00 2.62 2.74 0.00 0.00 6.92 8.25 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 25 E 8.01 4.77 0.00 2.10 1.89 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 2.31 2.43 0.00 26 P 0.00 4.44 0.00 2.25 2.15 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 27 V 8.06 4.70 2.12 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 0.95 0.00 0.00 1.20 0.00 0.00 28 V 8.61 3.94 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 0.86 0.00 0.00 0.85 0.00 0.00 29 I 8.36 4.88 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.91 0.00 0.00 30 V 8.58 4.33 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 1.01 0.00 0.00 0.92 0.00 0.00 31 C 8.61 5.25 0.00 2.98 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 32 T 8.99 4.12 4.34 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 1.33 0.00 0.00 33 N 8.97 4.14 0.00 2.88 2.90 0.00 0.00 7.08 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 34 G 8.08 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 35 T 8.23 4.30 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 1.24 0.00 0.00 36 I 7.81 4.74 1.91 0.00 0.00 1.00 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 0.88 0.96 0.00 0.00 37 S 8.34 4.38 0.00 4.06 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 0.00 38 D 8.62 4.31 0.00 2.68 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 39 A 7.94 3.92 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 40 R 8.15 3.81 0.00 1.93 2.09 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 41 L 7.93 3.81 0.00 1.68 1.66 0.08 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.32 3.77 0.00 2.08 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 2.20 2.40 0.00 43 E 8.19 3.83 0.00 2.07 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 2.36 2.28 0.00 44 L 8.00 3.87 0.00 1.92 1.74 0.95 1.04 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 45 A 7.66 3.25 0.29 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 46 D 7.93 4.37 0.00 2.80 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 47 E 8.22 4.06 0.00 2.08 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 2.34 2.45 0.00 48 L 7.80 4.71 0.00 1.88 1.85 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.43 4.20 0.00 1.90 1.92 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 2.35 2.30 0.00 50 G 9.23 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.67 4.61 0.00 3.11 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 52 D 9.31 4.55 0.00 2.81 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 53 V 8.10 4.95 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 1.02 0.00 0.00 1.18 0.00 0.00 54 Y 9.08 5.08 0.00 2.93 2.81 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 55 L 8.83 4.67 0.00 1.19 1.01 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.00 4.97 0.00 1.60 1.35 0.84 0.60 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 57 A 7.76 4.42 1.15 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 0.00 0.00 58 D 9.00 4.55 0.00 2.96 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 59 A 8.55 4.70 1.27 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 0.00 0.00 0.00 60 D 7.26 4.91 0.00 2.89 2.75 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 0.00 0.00 0.00 61 E 8.69 3.89 0.00 2.06 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 2.39 2.40 0.00 62 A 8.06 4.11 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 G 8.65 3.86 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 0.00 0.00 0.00 64 E 8.41 4.03 0.00 2.14 2.04 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 2.58 2.52 0.00 65 K 8.23 4.00 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 66 L 8.33 4.09 0.00 1.93 1.81 1.19 0.72 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 67 R 8.29 3.99 0.00 2.10 2.11 0.00 3.34 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 68 R 8.23 3.98 0.00 2.06 2.03 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 69 Q 8.43 4.03 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 70 F 9.02 4.08 0.00 3.35 3.18 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 0.00 0.00 0.00 0.00 71 R 8.37 4.13 0.00 1.98 2.04 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 72 R 7.94 4.14 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 73 M 8.22 4.60 0.00 1.87 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 74 F 8.44 5.23 0.00 2.57 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 75 P 0.00 4.45 0.00 2.12 2.14 0.00 3.88 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 2.08 2.29 0.00 76 E 8.18 3.96 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 2.37 2.40 0.00 77 A 7.03 3.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.16 0.00 1.84 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 79 H 8.90 4.87 0.00 3.03 2.77 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.58 4.90 0.00 1.45 1.49 0.83 1.09 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 81 Y 8.37 4.77 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.24 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.90 0.00 0.00 83 D 9.00 4.45 0.00 2.73 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 84 R 8.73 4.06 0.00 2.08 2.19 0.00 3.00 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 85 A 8.13 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.44 4.26 0.00 3.05 2.97 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 87 R 8.18 4.27 0.00 2.05 2.07 0.00 3.04 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 88 E 7.50 5.12 0.00 2.03 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 2.28 2.25 0.00 89 V 8.97 3.49 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 0.84 0.00 0.00 0.93 0.00 0.00 90 A 8.42 3.88 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 91 A 7.75 4.30 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 92 A 7.36 3.48 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 93 P 0.00 3.51 0.00 1.18 0.82 0.00 2.48 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 94 I 7.25 3.41 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.69 0.73 0.00 0.00 95 W 6.82 4.80 0.00 3.60 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 96 H 7.42 4.22 0.00 3.20 3.26 0.00 5.87 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 97 L 7.68 3.76 0.00 1.63 1.66 0.77 0.89 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 98 A 8.16 3.95 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 99 Q 7.85 3.95 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 100 V 7.73 3.57 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 1.02 0.00 0.00 0.89 0.00 0.00 101 L 8.04 4.04 0.00 1.64 1.52 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.48 4.21 0.00 1.86 1.75 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.19 4.01 0.00 1.97 2.04 0.00 3.20 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 104 A 7.35 4.51 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 0.00 105 R 7.88 3.88 0.00 1.89 2.03 0.00 3.32 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 106 F 8.05 4.66 0.00 3.00 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 0.00 107 D 9.42 4.79 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.16 4.96 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 0.73 0.00 0.00 0.95 0.00 0.00 109 R 9.01 4.04 0.00 1.72 1.86 0.00 3.13 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 110 I 8.72 3.72 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 1.48 0.83 0.92 0.00 0.00 111 E 8.15 4.10 0.00 2.10 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 2.29 2.33 0.00 112 S 8.13 4.53 0.00 4.07 4.17 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 0.00 113 L 7.93 4.03 0.00 1.78 1.79 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 114 M 7.85 4.07 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 115 R 8.17 3.37 0.00 1.62 1.55 0.00 3.26 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 116 G 5.77 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 0.00 0.00 0.00 117 R 8.32 4.00 0.00 1.94 1.90 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00