NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0251 8.3044 120.2739 55.4682 32.2693 168.6199 2 E 3.2838 7.8473 130.2731 54.7189 30.7965 172.4868 3 F 5.4303 8.1332 125.0523 57.6657 43.6080 172.8740 4 D 4.9993 8.2796 119.5654 55.2034 42.8856 175.1384 5 Y 4.9644 8.0557 114.6829 56.7737 42.7321 174.7300 6 V 4.5473 8.6408 117.0842 61.2798 35.0854 172.5811 7 I 4.9582 8.1721 122.5321 59.2566 39.6248 175.0205 8 C 4.0210 8.7687 127.3426 60.3533 31.7170 174.5416 9 E 4.0992 9.0196 125.3347 58.6310 29.7333 178.1830 10 E 4.1293 8.3202 118.3048 59.0033 29.6227 177.4696 11 C 4.6246 8.2171 109.5456 57.1505 31.4131 173.4770 12 G 4.1950 9.3150 108.4504 45.9330 0.0000 171.4851 13 K 4.3162 8.0883 124.4477 54.5031 33.5818 175.3108 14 E 4.5684 8.4177 125.6348 56.5199 30.6293 178.1008 15 F 4.6135 8.1872 115.4912 59.5218 45.8935 172.6492 16 M 4.7211 8.6843 117.3805 57.5685 38.7294 175.7944 17 D 4.9858 7.4795 112.4905 53.5237 43.3331 172.3297 18 S 4.5983 8.9486 116.1335 59.2809 63.6456 174.3821 19 Y 4.4808 9.3800 130.1675 58.3963 40.9322 174.8657 20 L 4.5935 7.9116 118.4264 55.7427 43.7565 177.1050 21 M 4.8417 7.8155 115.3558 54.6394 32.3438 176.1263 22 D 4.5701 7.8099 116.7204 55.8287 43.2438 176.2346 23 H 4.9398 7.5349 115.6304 54.3075 29.7786 173.7215 24 F 4.2706 8.0920 115.6137 57.1534 44.3988 175.2975 25 D 4.7483 9.2422 117.5963 53.7549 39.4445 173.5971 26 L 4.6862 8.1355 118.2993 51.7736 44.6690 173.6998 27 P 4.2587 0.0000 0.0000 60.7059 31.4849 179.9396 28 T 3.2451 8.0369 117.9310 63.6237 68.4001 169.6893 29 C 4.3563 7.8280 113.7341 57.8813 32.2597 172.6592 30 D 4.7599 8.2449 117.4046 55.1862 40.5597 176.8889 31 D 4.6581 7.9294 117.1989 56.1461 44.0580 176.0297 32 C 4.1082 8.3606 114.9098 62.1304 28.3285 174.8339 33 R 2.5100 7.4719 115.0850 58.0225 29.1981 172.8893 34 D 4.3661 8.0185 115.4496 55.3658 46.7118 177.2578 35 A 4.3640 7.9131 119.8525 51.3988 19.2817 177.9222 36 D 4.8181 8.6016 115.5625 55.1156 41.0019 174.2179 37 D 4.7905 7.6434 113.4590 53.6137 42.7524 174.6183 38 K 3.7926 8.1268 120.5586 55.9528 35.9833 175.2963 39 H 4.1992 8.1812 115.1275 56.5073 25.9428 174.3135 40 K 3.7463 7.1127 117.3626 56.0263 32.1164 176.2520 41 L 4.5263 8.1647 123.7796 55.8942 41.6837 175.8300 42 I 4.7108 8.4518 117.3284 59.3929 41.5210 174.6971 43 T 4.1542 8.8823 124.6915 64.3054 68.5750 174.9516 44 K 3.9753 9.0832 126.5920 59.5268 31.7247 179.5006 45 T 3.8889 7.8112 110.1605 64.5187 68.8711 175.6653 46 E 4.2168 7.9339 116.6296 56.4744 30.1739 177.5439 47 A 3.6444 7.5612 122.4214 54.5929 19.2558 179.4146 48 K 3.9881 7.5561 116.0207 59.4898 33.1159 178.9340 49 Q 4.6184 7.7844 120.9446 57.9538 28.5449 179.5616 50 E 4.0469 7.4417 117.4571 59.6624 29.5881 178.1422 51 Y 4.3470 7.9218 112.5327 58.3347 37.6830 175.4004 52 L 3.7169 8.6510 118.5852 55.0938 39.1377 173.6846 53 L 4.5001 7.4050 115.9024 55.8175 42.7793 174.0949 54 K 4.7239 8.5007 115.1510 56.5722 33.0417 175.0408 55 D 4.5198 8.1935 126.0492 55.6510 41.3185 174.1560 56 C 3.8322 8.7312 119.7707 59.2454 31.3439 172.3983 57 D 4.7369 7.6061 116.1269 56.3572 40.8484 177.7219 58 L 4.3317 7.7961 116.5876 56.0772 41.7744 177.7524 59 E 4.0785 7.9063 116.3462 55.8091 30.9580 176.5934 60 K 4.1933 8.0057 120.6273 58.0001 32.5730 177.5355 61 R 4.3507 7.8408 115.4649 55.1038 32.8937 174.2626 62 E 3.5519 7.6112 115.0556 55.9289 27.1651 170.9050 63 P 4.6848 0.0000 0.0000 61.4636 33.1745 174.6312 64 P 4.6115 0.0000 0.0000 63.0202 31.3842 175.7746 65 L 5.4606 7.7807 119.2527 53.8667 43.9275 174.7769 66 K 4.7068 8.3673 123.6306 54.4844 36.3781 174.3490 67 F 5.3575 6.9007 115.1933 55.5054 41.3878 173.3731 68 I 4.0087 7.1049 112.5780 59.3565 40.7512 174.7638 69 V 4.9352 6.9975 115.8899 64.4281 33.0735 171.2491 70 K 4.2082 8.3379 126.5031 55.9153 35.9494 174.3928 71 K 4.0021 8.7096 119.9089 57.0885 32.4067 177.4048 72 N 4.4922 8.6316 121.0391 52.8311 39.1475 173.7397 73 P 4.3167 0.0000 0.0000 65.2181 32.0882 176.1048 74 H 4.6687 7.8115 113.2811 54.1785 30.6719 173.6576 75 H 4.0321 8.6322 116.6787 56.5677 28.8656 172.0666 76 S 3.0373 8.3926 121.2653 58.5794 61.5383 172.8642 77 Q 4.0718 7.3071 123.3286 53.2655 29.3314 175.7525 78 W 4.7266 7.3875 122.0494 55.6444 32.3980 176.9280 79 G 3.9278 9.3951 110.0103 47.8509 0.0000 175.8601 80 D 4.8771 9.1277 120.1222 52.6407 42.5212 176.5301 81 M 4.7279 8.2389 117.7677 54.4784 35.8243 173.0346 82 K 4.9299 8.8431 125.8436 55.0294 34.3127 175.5162 83 L 5.4167 8.5977 123.8070 53.2278 46.5251 175.1179 84 Y 5.1253 8.8058 116.8182 55.8919 42.3759 174.7004 85 L 3.4160 8.6363 124.6817 56.0823 42.8842 178.0705 86 K 4.0249 8.8555 126.5844 59.4181 32.4419 178.6211 87 L 4.7872 7.8807 120.9444 58.7671 40.1736 178.9189 88 Q 4.0163 8.0453 120.5866 58.4968 29.0539 178.2940 89 I 3.8703 7.6761 120.7649 64.2229 37.0235 178.5986 90 V 3.8420 8.0451 119.4253 65.7910 31.4493 177.9080 91 K 3.9609 8.1559 119.4451 59.3483 31.9146 178.7862 92 R 3.9344 8.0623 118.5279 59.4489 30.2098 177.9902 93 S 4.2690 8.2443 112.9755 61.6722 62.0545 176.4293 94 L 4.1134 7.9139 120.7457 57.9244 41.4639 178.8824 95 E 3.9304 7.8416 116.9243 60.4048 29.4193 178.9763 96 V 3.7931 7.9659 111.8404 62.6246 31.7355 177.3163 97 W 4.1840 8.3983 121.3320 59.0243 29.7687 177.9603 98 G 4.1129 8.5127 104.2071 45.2160 0.0000 173.5002 99 S 4.5269 7.5578 111.0997 56.4381 65.0127 176.8450 100 Q 3.8561 8.1169 124.6403 58.0385 28.5343 178.0804 101 E 4.0404 7.9958 119.8167 58.1479 29.9029 177.6059 102 A 4.1578 7.9096 120.5505 54.2146 18.5202 179.3921 103 L 2.9152 7.3553 117.8811 57.3232 41.9533 178.6817 104 E 3.7830 7.8876 117.4455 59.8196 29.2168 178.8808 105 E 4.3038 8.2579 120.4483 58.1371 29.8041 178.5202 106 A 4.0049 7.6259 121.0022 54.5672 18.0790 179.1974 107 K 3.9920 7.7935 117.4875 58.5293 32.5410 178.1984 108 E 4.1970 7.9850 117.4585 58.0836 29.6138 179.0813 109 V 3.7348 7.5590 119.7575 63.7446 32.2209 176.7782 110 R 4.2089 7.2972 116.6531 55.1413 30.8893 176.4385 111 Q 4.1310 8.4124 118.7601 56.5939 29.0922 175.2227 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 8.30 4.03 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 2 E 7.85 3.28 0.00 2.03 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 2.11 2.28 0.00 3 F 8.13 5.43 0.00 3.14 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 4 D 8.28 5.00 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.06 4.96 0.00 2.84 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 6 V 8.64 4.55 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 0.89 0.00 0.00 0.97 0.00 0.00 7 I 8.17 4.96 1.88 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 1.40 0.67 1.01 0.00 0.00 8 C 8.77 4.02 0.00 3.10 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 9 E 9.02 4.10 0.00 2.01 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 2.33 2.34 0.00 10 E 8.32 4.13 0.00 1.96 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 2.32 2.24 0.00 11 C 8.22 4.62 0.00 3.04 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 12 G 9.31 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.09 4.32 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.56 7.81 14 E 8.42 4.57 0.00 1.85 1.77 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 2.19 2.40 0.00 15 F 8.19 4.61 0.00 3.43 2.99 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 16 M 8.68 4.72 0.00 1.87 1.57 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 17 D 7.48 4.99 0.00 2.72 2.50 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 18 S 8.95 4.60 0.00 3.57 3.23 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 19 Y 9.38 4.48 0.00 2.92 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 20 L 7.91 4.59 0.00 1.85 1.51 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.82 4.84 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 22 D 7.81 4.57 0.00 2.58 2.28 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 23 H 7.53 4.94 0.00 2.91 3.02 0.00 5.73 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 24 F 8.09 4.27 0.00 2.98 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 25 D 9.24 4.75 0.00 2.50 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 26 L 8.14 4.69 0.00 1.67 1.38 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.26 0.00 2.24 1.99 0.00 3.95 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 28 T 8.04 3.25 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 1.17 0.00 0.00 29 C 7.83 4.36 0.00 3.26 3.19 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 0.00 0.00 0.00 0.00 30 D 8.24 4.76 0.00 2.78 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 31 D 7.93 4.66 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.11 0.00 2.93 2.94 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 33 R 7.47 2.51 0.00 1.79 1.79 0.00 3.35 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 34 D 8.02 4.37 0.00 2.63 2.55 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 35 A 7.91 4.36 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 36 D 8.60 4.82 0.00 2.81 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 37 D 7.64 4.79 0.00 2.63 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 38 K 8.13 3.79 0.00 1.55 1.79 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.27 7.81 39 H 8.18 4.20 0.00 3.13 3.36 0.00 5.76 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 40 K 7.11 3.75 0.00 1.95 1.81 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 41 L 8.16 4.53 0.00 2.37 2.32 1.18 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.45 4.71 1.92 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 1.22 1.73 0.94 0.00 0.00 43 T 8.88 4.15 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 1.26 0.00 0.00 44 K 9.08 3.98 0.00 2.13 1.86 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.11 7.81 45 T 7.81 3.89 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 1.19 0.00 0.00 46 E 7.93 4.22 0.00 2.14 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 2.39 2.34 0.00 47 A 7.56 3.64 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 48 K 7.56 3.99 0.00 2.03 1.89 0.00 1.07 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.15 1.38 7.81 49 Q 7.78 4.62 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 50 E 7.44 4.05 0.00 1.96 2.15 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 2.35 2.59 0.00 51 Y 7.92 4.35 0.00 3.06 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 52 L 8.65 3.72 0.00 1.78 2.22 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.41 4.50 0.00 1.87 1.88 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.50 4.72 0.00 1.77 1.90 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 55 D 8.19 4.52 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 56 C 8.73 3.83 0.00 3.14 3.13 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 57 D 7.61 4.74 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.33 0.00 1.78 1.77 0.93 0.70 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 59 E 7.91 4.08 0.00 1.92 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 2.25 2.29 0.00 60 K 8.01 4.19 0.00 1.94 1.83 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.41 7.81 61 R 7.84 4.35 0.00 1.82 1.94 0.00 3.35 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 62 E 7.61 3.55 0.00 2.13 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 0.00 2.25 2.29 0.00 63 P 0.00 4.68 0.00 2.29 2.11 0.00 4.03 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 2.08 2.01 0.00 64 P 0.00 4.61 0.00 2.22 2.20 0.00 3.78 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 2.01 1.97 0.00 65 L 7.78 5.46 0.00 1.73 1.79 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.37 4.71 0.00 1.63 1.60 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 67 F 6.90 5.36 0.00 2.74 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 68 I 7.10 4.01 1.41 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.53 -1.44 0.00 0.00 69 V 7.00 4.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.03 0.00 0.00 70 K 8.34 4.21 0.00 1.63 1.69 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 1.21 7.81 71 K 8.71 4.00 0.00 1.59 1.70 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 72 N 8.63 4.49 0.00 2.71 2.60 0.00 0.00 7.09 8.24 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 73 P 0.00 4.32 0.00 2.16 2.08 0.00 3.84 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 2.03 1.90 0.00 74 H 7.81 4.67 0.00 3.27 3.42 0.00 5.74 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 75 H 8.63 4.03 0.00 3.14 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.39 3.04 0.00 3.88 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.31 4.07 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 78 W 7.39 4.73 0.00 3.31 3.16 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 0.00 0.00 0.00 0.00 79 G 9.40 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 80 D 9.13 4.88 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 81 M 8.24 4.73 0.00 2.30 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.01 0.00 82 K 8.84 4.93 0.00 1.81 1.76 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.54 7.81 83 L 8.60 5.42 0.00 1.42 1.66 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.81 5.13 0.00 3.04 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 85 L 8.64 3.42 0.00 1.64 1.44 -1.21 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.86 4.02 0.00 1.91 1.80 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.27 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.57 7.81 87 L 7.88 4.79 0.00 1.89 2.05 0.86 0.46 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 88 Q 8.05 4.02 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 89 I 7.68 3.87 2.09 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.72 0.63 0.00 0.00 90 V 8.05 3.84 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 1.06 0.00 0.00 1.15 0.00 0.00 91 K 8.16 3.96 0.00 1.90 1.86 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 92 R 8.06 3.93 0.00 2.10 2.04 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 93 S 8.24 4.27 0.00 3.97 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.11 0.00 1.76 1.77 0.94 1.18 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 95 E 7.84 3.93 0.00 2.24 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 2.38 2.42 0.00 96 V 7.97 3.79 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 0.77 0.00 0.00 1.23 0.00 0.00 97 W 8.40 4.18 0.00 3.23 3.35 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 98 G 8.51 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 99 S 7.56 4.53 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.86 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.62 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 101 E 8.00 4.04 0.00 2.03 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 2.33 2.54 0.00 102 A 7.91 4.16 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 0.00 103 L 7.36 2.92 0.00 1.51 1.24 0.57 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.89 3.78 0.00 2.17 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 2.23 2.40 0.00 105 E 8.26 4.30 0.00 2.11 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 2.29 2.33 0.00 106 A 7.63 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.79 3.99 0.00 1.62 1.73 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 108 E 7.98 4.20 0.00 2.19 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 0.00 2.41 2.28 0.00 109 V 7.56 3.73 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 0.82 0.00 0.00 0.95 0.00 0.00 110 R 7.30 4.21 0.00 1.94 1.96 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 111 Q 8.41 4.13 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00