NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6333 8.3229 119.5548 52.5827 42.0407 176.6933 6 L 4.0012 8.4334 119.2537 60.6663 40.6638 175.1567 7 G 3.9929 8.8798 107.8896 47.5611 0.0000 175.4701 8 K 4.0964 8.1281 123.1951 59.6804 32.1111 180.0707 9 K 4.0788 8.5483 124.3889 59.5705 31.4183 180.8524 10 L 4.0732 7.9075 120.5725 58.1141 42.0614 178.9200 11 L 3.9478 7.8189 118.8802 57.9802 41.6102 179.4307 12 E 3.8870 8.7358 118.4057 59.3190 29.3181 179.3127 13 A 4.3701 8.4550 122.0476 54.5268 18.4307 179.5489 14 A 3.9122 8.2656 121.8378 56.0324 18.2782 180.6368 15 R 3.6903 7.6615 117.5971 61.4754 29.4959 180.2526 16 A 4.2703 7.8619 119.5579 52.0945 18.8101 177.2773 17 G 3.6069 7.6693 105.0360 47.2021 0.0000 175.9841 18 Q 4.4031 7.8938 120.1745 53.6253 26.8087 175.0720 19 D 4.3382 8.0187 124.2423 56.4545 39.7095 178.5970 20 D 4.2672 7.9515 119.6706 57.1770 40.9194 178.1543 21 E 4.0198 8.0837 119.3383 58.9577 29.6346 178.8217 22 V 3.4948 7.7920 118.4773 66.0074 31.6159 178.0115 23 R 3.8825 8.0709 117.8910 59.4366 29.9161 178.8088 24 I 3.6372 8.0340 119.6259 64.6568 37.1277 178.3805 25 L 3.9857 8.5673 119.8219 58.2774 41.2648 179.6801 26 M 4.2171 8.0369 117.1176 57.7210 31.5942 178.5968 27 A 4.1218 7.8748 121.4438 55.3978 18.4930 179.2670 28 N 4.1091 8.0109 113.7114 55.6304 38.5973 175.7782 29 G 4.1995 7.4678 108.6890 45.4345 0.0000 173.7178 30 A 4.0680 8.3545 124.2080 51.0135 18.7809 176.7702 31 P 4.4243 0.0000 0.0000 62.3276 31.9408 175.6056 32 F 4.5522 9.3577 122.1857 58.2114 38.3319 173.9802 33 T 4.8954 8.1028 118.8874 60.4898 71.2121 173.3224 34 T 4.7697 8.0193 109.4383 61.2653 71.5980 172.7303 35 D 4.9209 8.6984 122.6645 51.6852 41.6820 176.7956 36 W 4.2770 9.3566 115.1833 59.3284 28.0040 176.5800 37 L 4.1465 7.7619 117.6831 54.0912 41.1159 177.5479 38 G 4.0002 8.3874 106.8199 45.9655 0.0000 173.8370 39 T 3.9693 8.3967 118.6124 63.0889 68.8432 174.6666 40 S 5.1984 8.3712 121.5943 56.1909 66.7099 173.1124 41 P 4.2565 0.0000 0.0000 65.6712 30.8234 178.7498 42 L 3.9578 7.8282 118.7019 58.3325 42.0148 178.5178 43 H 4.1428 7.8816 114.9589 58.8279 28.6113 177.8419 44 L 4.2379 8.1543 120.5254 57.7726 41.5225 179.3716 45 A 4.0847 8.4812 120.9129 55.3153 18.0592 179.6362 46 A 4.0719 8.2936 119.4831 55.1163 18.1878 179.7035 47 Q 3.8840 8.1970 117.6150 59.4355 29.3191 177.4523 48 Y 4.2260 8.1525 114.7302 57.7380 38.3253 175.5992 49 G 3.3589 7.4711 106.5678 47.2938 0.0000 175.1250 50 H 4.7485 8.3328 119.5015 53.6231 28.0701 175.0734 51 F 4.1474 8.5019 127.2243 61.4363 39.4884 176.6263 52 S 3.9054 8.1117 114.0945 61.6919 62.6605 176.7100 53 T 3.7562 7.7632 117.8243 66.9231 68.2476 176.2648 54 T 3.7313 8.0033 117.8731 66.8099 68.4619 175.7549 55 E 3.6287 7.6804 120.7095 59.5751 29.2862 179.2747 56 V 3.5359 7.6319 116.8341 65.7862 31.7427 177.7592 57 L 3.9942 7.9343 118.9824 57.5874 41.4735 179.2143 58 L 3.9479 8.0718 119.2437 58.0061 41.4844 179.6141 59 R 4.1156 8.1086 114.7169 57.6143 30.0090 177.6868 60 A 4.5312 8.0277 120.4097 51.9614 19.5556 178.0260 61 G 4.0106 8.2864 105.8805 45.0788 0.0000 174.4596 62 V 4.0689 7.5054 112.0034 60.8073 32.1395 175.8944 63 S 4.1574 8.7593 119.5460 59.1377 62.5955 174.9824 64 R 4.0643 8.8679 126.8241 59.2552 29.7128 174.2731 65 D 4.8522 7.6833 117.6659 53.1949 40.9667 177.0350 66 A 4.1822 7.6737 122.6601 52.1511 19.5318 177.0791 67 R 5.0510 8.3849 121.6284 54.5829 32.2583 176.9648 68 T 4.4791 8.2008 112.4311 60.1166 70.5306 175.0857 69 K 4.2304 8.3354 119.7865 57.8047 32.1151 178.1103 70 V 4.2445 7.5757 112.0340 60.8285 31.9002 176.2287 71 D 4.7646 8.2142 118.1802 55.0384 38.9328 173.9296 72 R 4.2591 7.6904 118.8521 56.2316 30.8351 176.0936 73 T 5.6181 8.2572 113.1417 58.9140 72.5661 173.9411 74 P 4.2192 0.0000 0.0000 65.3781 31.1146 178.7282 75 L 3.9588 7.8282 118.9806 58.2724 41.9343 178.4949 76 H 4.2922 7.6726 114.9999 59.1901 28.6276 177.5730 77 M 3.8828 7.8211 119.8829 58.3224 31.8589 178.4962 78 A 3.9891 8.3304 120.9425 55.2431 18.5639 179.5587 79 A 3.9335 8.2509 119.2807 55.4395 18.3067 179.6569 80 S 4.2550 8.2001 110.6929 61.6643 62.5280 175.7051 81 E 4.1310 8.3180 119.0608 56.4673 29.3991 177.6168 82 G 3.4630 7.4371 106.9106 46.5248 0.0000 175.2205 83 H 4.6158 7.8059 119.2578 53.9138 26.6131 175.3825 84 A 4.0573 8.1038 127.2168 54.8436 18.4598 178.6868 85 N 4.1598 8.1220 114.9901 56.4536 37.1918 177.4058 86 I 3.9193 7.7410 121.9185 63.7961 37.3380 178.3016 87 V 3.5469 8.3188 119.5584 65.9232 31.2243 177.6467 88 E 3.7076 8.6020 119.5932 59.2734 29.2209 179.2482 89 V 3.7418 7.7103 119.2223 64.8033 31.5031 178.2735 90 L 3.9528 7.9618 119.6748 57.5208 41.4230 179.5556 91 L 3.9310 7.8378 118.8671 57.5913 41.3380 179.3527 92 K 4.3659 8.1887 116.5730 58.2457 31.9114 177.2438 93 H 4.7563 7.6588 115.8722 55.4869 29.2047 174.5395 94 G 3.8447 8.4561 106.0157 45.9090 0.0000 174.2772 95 A 4.0223 7.7820 122.4004 51.2765 18.7465 177.9684 96 D 4.4444 8.9857 122.3842 54.1001 41.1895 177.6670 97 V 3.6347 8.4708 121.1312 64.0688 31.7718 176.8713 98 N 4.7605 8.2462 115.1154 52.6317 38.6310 175.0309 99 A 4.1362 7.5956 122.6024 52.4270 18.9620 177.3425 100 K 5.1076 8.4501 120.6234 54.5848 35.4393 176.6458 101 D 5.0862 8.5194 122.6902 52.0889 41.7049 176.3335 102 M 3.9854 8.4055 117.5430 58.8244 32.4308 177.9415 103 L 4.3413 8.1614 116.9962 53.6676 42.2613 176.4292 104 K 4.0945 7.8549 116.9846 57.8321 30.3775 174.6165 105 M 4.6116 8.5187 117.3127 53.7297 34.2353 176.2233 106 T 5.4077 8.6237 111.2541 59.1361 71.4466 175.2798 107 A 4.3040 8.6349 122.8846 55.3621 18.1841 179.5945 108 L 3.9453 7.6707 117.6069 58.5182 42.0578 178.8571 109 H 4.0442 8.0605 116.1535 58.7799 28.6744 177.9089 110 W 4.2952 8.0583 119.9092 59.7757 29.0077 178.4292 111 A 4.3825 8.6999 121.0588 55.1633 17.6371 179.9497 112 T 3.8425 7.8894 114.4684 66.7312 68.4673 176.5757 113 E 3.8608 8.1730 120.1868 59.1177 29.5355 177.6763 114 H 4.8063 7.9616 113.1918 54.4504 29.2164 174.4103 115 N 4.2009 8.0523 116.8061 54.8304 36.8460 175.9824 116 H 4.7329 8.4123 116.5574 54.0887 26.4461 174.6800 117 Q 3.9879 8.1391 125.5307 59.4020 29.3192 177.5499 118 E 4.3258 8.1294 120.1542 58.8525 29.4278 179.3309 119 V 3.6995 7.7587 117.9821 65.6148 31.6570 178.1701 120 V 3.6102 7.9505 118.2909 65.9764 30.9595 177.9443 121 E 3.9799 8.6253 118.7935 59.3315 29.4202 179.0109 122 L 4.1162 8.0538 120.3719 58.2324 42.1175 179.1040 123 L 4.0828 8.3432 119.1943 57.9619 41.3762 179.5504 124 I 3.8053 7.8184 118.6991 64.2579 37.0300 178.3831 125 K 4.1885 7.9898 118.8327 59.1088 32.1462 177.7223 126 Y 4.4617 8.1821 116.0060 58.2884 38.9391 176.1275 127 G 3.9450 8.2553 104.4368 46.1166 0.0000 174.3611 128 A 4.0766 7.7926 121.8931 51.9827 18.7444 177.9387 129 D 4.4826 9.2503 122.5125 53.7363 40.9289 176.7343 130 V 3.7223 8.3890 127.3307 65.1697 31.8135 175.9503 131 H 4.9691 7.6472 115.8384 55.4297 29.4493 174.3256 132 T 4.2453 7.8474 109.3155 61.2675 69.7946 173.1752 133 Q 4.9075 8.4218 123.5105 54.5628 30.3373 176.1813 134 S 4.9861 8.6592 117.6945 56.3201 64.6053 174.6676 135 K 3.9772 8.3277 121.2832 58.5880 31.5748 177.2460 136 F 4.8895 7.6885 116.1549 57.4261 39.0669 175.8303 137 C 4.0449 8.4102 116.4298 60.6000 26.1252 172.7999 138 K 4.7479 7.4523 119.8800 55.0382 33.3345 176.6940 139 T 5.5018 8.8478 112.9013 59.4109 70.9180 175.5792 140 A 3.9683 8.4074 123.0065 55.2199 18.1527 179.3748 141 F 3.9942 7.8172 118.8239 61.7556 39.4062 177.1464 142 D 4.3874 8.1681 117.9407 57.3652 40.6158 178.7890 143 I 3.6165 7.7086 120.0325 64.4295 37.2978 178.4232 144 S 4.0490 7.9699 114.9625 61.4373 62.6284 176.7137 145 I 3.5060 7.3556 123.2688 64.1975 36.6668 178.1648 146 D 4.3516 8.4315 118.4240 56.5204 40.6647 177.5038 147 N 4.7427 7.8163 114.8930 52.0690 39.0433 175.4914 148 G 3.7770 7.7000 108.3341 46.6665 0.0000 174.8038 149 N 4.6753 8.0549 122.8789 52.4971 37.8537 175.5501 150 E 4.0771 8.2886 126.1929 60.1746 29.8682 177.2055 151 D 4.5740 8.0270 116.5453 57.8307 41.3120 178.1740 152 L 4.1464 8.4811 119.4690 57.5284 41.7085 179.0585 153 A 4.2236 7.8197 122.1144 54.7119 17.9501 179.5929 154 E 4.3897 8.1403 117.8866 58.5180 29.6447 178.7821 155 I 4.1191 7.6608 111.3418 62.1088 38.2511 176.9561 156 L 4.5369 7.7255 119.0432 55.0474 42.3773 176.0531 157 Q 3.7688 8.1735 122.1485 56.2423 28.5198 176.0244 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 5 D 8.32 4.63 0.00 2.62 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 6 L 8.43 4.00 0.00 1.72 1.71 0.92 0.37 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 7 G 8.88 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.13 4.10 0.00 1.90 1.87 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.45 7.81 9 K 8.55 4.08 0.00 1.71 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 10 L 7.91 4.07 0.00 1.97 1.75 0.72 0.27 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 11 L 7.82 3.95 0.00 1.95 1.71 0.96 0.77 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 12 E 8.74 3.89 0.00 2.10 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 2.30 2.34 0.00 13 A 8.45 4.37 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 14 A 8.27 3.91 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 15 R 7.66 3.69 0.00 1.94 1.87 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 16 A 7.86 4.27 1.28 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 0.00 0.00 0.00 17 G 7.67 3.61 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 0.00 0.00 0.00 18 Q 7.89 4.40 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 19 D 8.02 4.34 0.00 2.81 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 20 D 7.95 4.27 0.00 2.69 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 21 E 8.08 4.02 0.00 2.04 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 2.34 2.39 0.00 22 V 7.79 3.49 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 0.86 0.00 0.00 0.91 0.00 0.00 23 R 8.07 3.88 0.00 2.12 1.95 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 24 I 8.03 3.64 1.94 0.00 0.00 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 1.51 0.80 1.02 0.00 0.00 25 L 8.57 3.99 0.00 1.69 1.70 0.89 1.22 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 26 M 8.04 4.22 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.30 0.00 27 A 7.87 4.12 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 28 N 8.01 4.11 0.00 2.86 2.93 0.00 0.00 7.34 7.21 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 29 G 7.47 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.35 4.07 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 31 P 0.00 4.42 0.00 2.29 2.25 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 32 F 9.36 4.55 0.00 2.87 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 33 T 8.10 4.90 4.29 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 1.33 0.00 0.00 34 T 8.02 4.77 4.30 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 1.31 0.00 0.00 35 D 8.70 4.92 0.00 3.24 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 36 W 9.36 4.28 0.00 3.60 3.20 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 0.00 0.00 0.00 37 L 7.76 4.15 0.00 1.21 1.23 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 3.97 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 1.22 0.00 0.00 40 S 8.37 5.20 0.00 4.10 4.08 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 41 P 0.00 4.26 0.00 2.08 2.07 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 42 L 7.83 3.96 0.00 1.71 1.60 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.88 4.14 0.00 3.55 3.34 0.00 5.87 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 44 L 8.15 4.24 0.00 1.92 1.79 1.01 0.73 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 45 A 8.48 4.08 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 46 A 8.29 4.07 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 47 Q 8.20 3.88 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 1.83 2.16 0.00 48 Y 8.15 4.23 0.00 2.96 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 49 G 7.47 3.36 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 0.00 50 H 8.33 4.75 0.00 3.25 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.50 4.15 0.00 3.11 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 52 S 8.11 3.91 0.00 3.89 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 53 T 7.76 3.76 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 1.15 0.00 0.00 54 T 8.00 3.73 4.21 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 0.00 0.00 0.00 1.12 0.00 0.00 55 E 7.68 3.63 0.00 1.59 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 56 V 7.63 3.54 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 0.82 0.00 0.00 0.88 0.00 0.00 57 L 7.93 3.99 0.00 1.84 1.58 0.85 0.58 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 58 L 8.07 3.95 0.00 1.66 1.59 0.61 0.74 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 59 R 8.11 4.12 0.00 1.73 1.98 0.00 3.15 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 60 A 8.03 4.53 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 61 G 8.29 4.01 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 0.00 0.00 0.00 62 V 7.51 4.07 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 0.52 0.00 0.00 0.94 0.00 0.00 63 S 8.76 4.16 0.00 3.87 3.84 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 64 R 8.87 4.06 0.00 1.87 1.83 0.00 3.30 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 65 D 7.68 4.85 0.00 2.66 2.69 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 66 A 7.67 4.18 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 R 8.38 5.05 0.00 1.82 1.98 0.00 3.57 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 68 T 8.20 4.48 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 1.00 0.00 0.00 69 K 8.34 4.23 0.00 1.74 1.80 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.34 7.81 70 V 7.58 4.24 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 0.67 0.00 0.00 0.85 0.00 0.00 71 D 8.21 4.76 0.00 2.97 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 72 R 7.69 4.26 0.00 1.83 1.85 0.00 2.91 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 73 T 8.26 5.62 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 74 P 0.00 4.22 0.00 2.10 2.21 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 75 L 7.83 3.96 0.00 1.70 1.59 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.67 4.29 0.00 3.66 3.26 0.00 5.70 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 77 M 7.82 3.88 0.00 1.90 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.01 0.00 78 A 8.33 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 79 A 8.25 3.93 1.54 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 0.00 0.00 80 S 8.20 4.26 0.00 3.88 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 81 E 8.32 4.13 0.00 1.51 1.57 0.00 0.00 0.00 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 2.51 0.00 82 G 7.44 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 83 H 7.81 4.62 0.00 3.21 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.10 4.06 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 85 N 8.12 4.16 0.00 2.49 2.88 0.00 0.00 6.27 7.68 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 86 I 7.74 3.92 2.04 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 1.58 0.89 0.95 0.00 0.00 87 V 8.32 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 88 E 8.60 3.71 0.00 2.15 2.13 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 2.41 2.44 0.00 89 V 7.71 3.74 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 0.93 0.00 0.00 0.83 0.00 0.00 90 L 7.96 3.95 0.00 1.85 1.71 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.84 3.93 0.00 1.19 1.18 0.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.19 4.37 0.00 2.02 1.95 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 1.83 7.81 93 H 7.66 4.76 0.00 3.04 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.46 3.84 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 0.00 0.00 0.00 95 A 7.78 4.02 1.28 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 0.00 0.00 0.00 96 D 8.99 4.44 0.00 2.81 2.58 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 97 V 8.47 3.63 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 0.87 0.00 0.00 1.01 0.00 0.00 98 N 8.25 4.76 0.00 2.86 2.85 0.00 0.00 6.95 7.10 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 99 A 7.60 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 0.00 100 K 8.45 5.11 0.00 1.75 1.63 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.55 7.81 101 D 8.52 5.09 0.00 3.11 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 0.00 102 M 8.41 3.99 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 103 L 8.16 4.34 0.00 1.73 1.46 1.20 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.85 4.09 0.00 1.94 1.80 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.30 7.81 105 M 8.52 4.61 0.00 1.51 2.12 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.91 0.00 106 T 8.62 5.41 4.31 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 1.30 0.00 0.00 107 A 8.63 4.30 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 0.00 108 L 7.67 3.95 0.00 1.83 1.62 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.06 4.04 0.00 3.32 2.84 0.00 5.87 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 0.00 110 W 8.06 4.30 0.00 3.48 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 0.00 111 A 8.70 4.38 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 0.00 0.00 0.00 0.00 0.00 112 T 7.89 3.84 4.36 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 1.23 0.00 0.00 113 E 8.17 3.86 0.00 1.81 2.13 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 2.33 2.27 0.00 114 H 7.96 4.81 0.00 3.23 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.05 4.20 0.00 2.80 2.86 0.00 0.00 6.87 8.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.41 4.73 0.00 3.26 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.14 3.99 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 118 E 8.13 4.33 0.00 2.11 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 2.41 2.30 0.00 119 V 7.76 3.70 2.26 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 1.15 0.00 0.00 0.92 0.00 0.00 120 V 7.95 3.61 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 1.00 0.00 0.00 1.00 0.00 0.00 121 E 8.63 3.98 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 2.35 2.49 0.00 122 L 8.05 4.12 0.00 1.93 1.94 1.21 0.45 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 0.00 123 L 8.34 4.08 0.00 1.97 1.74 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.82 3.81 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 0.93 0.00 0.00 125 K 7.99 4.19 0.00 1.99 1.77 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 126 Y 8.18 4.46 0.00 2.94 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 0.00 127 G 8.26 3.95 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 0.00 0.00 0.00 128 A 7.79 4.08 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 0.00 129 D 9.25 4.48 0.00 2.72 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 0.00 130 V 8.39 3.72 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 0.66 0.00 0.00 0.91 0.00 0.00 131 H 7.65 4.97 0.00 3.17 3.27 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.85 4.25 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 1.31 0.00 0.00 133 Q 8.42 4.91 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 134 S 8.66 4.99 0.00 3.92 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 0.00 135 K 8.33 3.98 0.00 1.39 1.04 0.00 1.72 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.03 1.19 7.81 136 F 7.69 4.89 0.00 3.12 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 0.00 137 C 8.41 4.04 0.00 3.12 3.06 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 0.00 0.00 0.00 138 K 7.45 4.75 0.00 1.92 1.73 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.63 7.81 139 T 8.85 5.50 4.30 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 1.28 0.00 0.00 140 A 8.41 3.97 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 0.00 141 F 7.82 3.99 0.00 3.23 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 0.00 142 D 8.17 4.39 0.00 2.89 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 0.00 143 I 7.71 3.62 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.83 0.87 0.00 0.00 144 S 7.97 4.05 0.00 4.05 4.01 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 0.00 145 I 7.36 3.51 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.29 0.83 0.00 0.00 146 D 8.43 4.35 0.00 2.68 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 0.00 147 N 7.82 4.74 0.00 2.81 2.80 0.00 0.00 6.98 7.46 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 0.00 148 G 7.70 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 0.00 0.00 0.00 149 N 8.05 4.68 0.00 2.71 2.66 0.00 0.00 7.35 7.85 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 0.00 150 E 8.29 4.08 0.00 2.01 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 1.97 0.00 151 D 8.03 4.57 0.00 2.79 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 0.00 152 L 8.48 4.15 0.00 1.78 1.67 0.90 0.77 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 0.00 153 A 7.82 4.22 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 0.00 154 E 8.14 4.39 0.00 2.09 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 0.00 2.40 2.43 0.00 155 I 7.66 4.12 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.58 0.98 0.00 0.00 156 L 7.73 4.54 0.00 1.82 1.89 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.17 3.77 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.55 0.00 0.00 0.00 0.00 0.00 2.71 2.32 0.00