NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1220 8.2649 123.5681 50.8512 19.8995 176.4431 5 P 4.7210 0.0000 0.0000 61.4500 32.0330 172.0288 6 E 4.4372 9.7310 127.4981 54.4115 32.3178 174.5904 7 L 4.5651 8.5680 128.2616 53.6326 42.2782 175.9853 8 R 4.2162 9.1613 126.5094 54.9180 31.1990 174.9503 9 I 4.9287 7.9445 126.8412 60.0267 39.9895 174.7873 10 F 5.0630 9.0785 126.0389 55.8119 43.6573 173.2644 11 P 4.8058 0.0000 0.0000 61.8244 32.8303 175.7200 12 K 4.2278 8.5689 116.2211 58.8802 32.3918 176.7532 13 K 4.6086 7.5805 114.9748 56.3886 35.4808 175.5479 14 M 4.4740 8.8135 121.3893 54.8156 35.3652 173.2117 15 D 4.7196 8.7402 127.1045 53.6186 41.8886 175.8303 16 A 4.9929 7.6215 127.6248 49.5496 22.0775 175.1357 17 E 4.7443 8.5400 113.2909 54.3415 33.5876 174.6885 18 L 4.2255 8.1465 123.2332 56.2175 42.3694 177.7223 19 G 4.0079 8.9325 112.8108 45.5873 0.0000 173.4212 20 Q 4.0699 8.2491 122.9201 55.9514 30.0780 175.1898 21 K 4.4564 8.6532 128.3509 55.8063 33.0122 175.7852 22 V 4.3657 8.5903 127.6060 61.0934 34.1931 173.7716 23 D 5.2262 8.6273 126.8515 52.5504 43.1032 175.1906 24 L 4.8864 8.5969 124.0598 52.7917 44.7060 175.6506 25 V 4.7164 9.5065 123.7110 61.4966 34.3973 173.5457 26 C 5.0529 9.4726 129.5367 55.2938 40.4722 171.6147 27 E 4.9426 9.9586 128.9943 55.1207 29.9506 175.4785 28 V 4.6334 8.7964 129.1399 60.5427 31.6179 175.9385 29 L 4.1936 8.7938 127.6878 54.2586 44.0213 175.6423 30 G 4.3669 8.5162 108.9867 46.0602 0.0000 171.2607 31 S 4.9297 7.9117 115.7912 57.0137 64.5821 174.0135 32 V 4.3951 7.6891 117.5194 61.6447 33.2477 175.4648 33 S 3.6900 6.9985 114.6462 56.5265 62.1391 173.4413 34 Q 4.7739 8.2675 123.7048 53.5714 31.8632 175.6304 35 G 3.7728 8.5411 105.8005 45.4860 0.0000 172.0056 36 C 4.7183 7.7291 118.7432 57.6141 35.6150 174.4163 37 S 5.2708 8.8352 119.6201 56.5836 66.2946 173.0024 38 W 4.8978 8.9075 123.9285 55.2783 30.9989 175.3703 39 L 5.3461 9.2525 123.4650 52.8644 45.5088 175.2632 40 F 5.1496 9.2527 123.7754 56.8120 43.0311 173.7893 41 Q 4.4846 8.5917 125.8191 53.8228 28.9947 173.5515 42 N 3.8061 7.5632 122.3090 53.3117 39.0538 174.9555 43 S 4.3059 8.9034 122.8875 60.3338 63.3287 175.6124 44 S 4.5471 7.8594 116.5824 56.1245 62.0427 175.6690 45 S 4.4265 7.5733 122.8496 60.8159 62.0141 176.6916 46 K 4.1044 9.1401 125.5845 57.3956 31.1594 176.9108 47 L 4.6339 7.2372 117.4014 54.2674 40.2417 174.5120 48 P 4.5565 0.0000 0.0000 63.4532 31.4668 176.1153 49 Q 4.4753 7.3363 117.5498 54.6818 29.8292 174.0638 50 P 4.7709 0.0000 0.0000 62.8409 32.3206 175.7071 51 T 4.8010 8.9104 113.9689 59.6362 72.1082 173.0233 52 F 4.5283 8.9094 125.6974 58.6866 39.6619 173.8988 53 V 4.0064 8.4383 126.1723 63.6333 32.3763 175.0414 54 V 4.0028 6.6100 117.7688 61.1451 35.8394 172.3970 55 Y 5.1895 8.6553 125.1425 56.0550 42.0314 173.8804 56 M 4.9276 7.9623 125.4326 53.1475 35.4029 174.9587 57 A 4.3459 8.1108 126.0049 51.4977 18.8605 178.0608 58 S 4.2686 8.7984 115.4083 60.0600 63.0721 174.3448 59 S 4.4046 7.1745 113.3495 59.6033 63.6997 173.4886 60 H 4.3590 7.3225 118.8449 56.4440 29.7952 175.6538 61 N 4.7505 8.4591 119.7778 52.8164 37.7066 175.3109 62 K 4.6903 7.6963 119.9224 54.6066 35.7384 175.3712 63 I 4.6694 8.5695 127.4760 60.0358 39.8478 175.2351 64 T 4.6093 9.0969 125.8791 61.6912 69.9781 174.6406 65 W 4.6860 8.8241 126.4389 55.5681 30.9072 175.8544 66 D 4.9170 8.7526 122.1025 54.1451 40.9704 177.2363 67 E 4.0377 9.3342 123.4932 59.2689 29.7385 178.2054 68 K 4.5192 8.2700 116.9494 56.3327 32.1174 176.7918 69 L 4.6819 8.5164 118.4319 55.4387 43.7549 178.7320 70 N 3.5270 6.7764 108.5206 54.1144 39.3321 174.5733 71 S 4.7912 7.6311 116.8180 56.9967 65.4586 174.6657 72 S 4.8999 7.2442 128.3389 57.2160 61.6104 174.8041 73 K 4.3453 8.0987 117.5396 55.9849 34.6695 175.0941 74 L 3.9296 7.3076 122.4610 56.8439 42.5171 176.6601 75 F 6.2268 7.9559 114.7328 54.6473 43.1841 174.5183 76 S 5.0710 8.7914 112.9666 57.0901 66.4583 172.6044 77 A 5.3543 8.8863 121.7491 51.1494 22.5615 174.7575 78 M 4.7290 8.5957 117.0136 54.5409 37.4616 174.5586 79 R 4.8765 8.5925 120.2141 53.6807 32.3782 173.4185 80 D 4.5050 8.4525 126.5213 53.2676 41.1440 176.9986 81 T 3.2925 8.4745 116.2131 62.8026 66.2871 171.1451 82 N 4.7657 8.7061 113.8640 52.4745 38.9717 174.5933 83 N 4.9411 7.9013 115.1896 52.3228 39.1590 173.4484 84 K 4.9333 7.4159 119.7030 55.0647 34.6189 174.6124 85 Y 4.9248 8.9965 123.3451 56.2917 40.3079 174.8782 86 V 4.6633 8.6572 125.8863 61.8753 33.2326 174.3411 87 L 4.7277 8.5566 130.0351 53.3421 44.6203 174.9028 88 T 4.8613 8.7604 122.5092 61.7721 71.8863 173.3664 89 L 4.2917 8.8215 127.9301 53.9508 41.2826 177.2540 90 N 4.2632 8.7460 121.8418 55.8324 39.3884 175.1114 91 K 4.5021 7.5875 116.8216 53.7104 34.7579 177.3044 92 F 4.8309 8.1104 130.0116 58.4043 36.6222 174.1642 93 S 4.3746 7.3189 115.7092 56.7482 65.9177 174.8924 94 K 3.9498 8.3409 118.3136 59.8592 31.7410 179.0007 95 E 4.3049 7.4942 115.6026 58.0195 29.3170 176.5580 96 N 5.1258 7.9127 116.6446 53.0908 39.9923 173.8540 97 E 5.3657 9.5602 118.5325 53.2332 33.1413 174.5866 98 G 4.4958 8.1259 114.5356 46.9844 0.0000 170.8744 99 Y 5.2967 8.3856 121.5196 56.4412 41.0392 174.4904 100 Y 5.6560 9.2419 120.2998 56.7073 42.5436 174.3705 101 F 5.4814 8.8447 115.7199 56.5000 41.7409 170.2269 102 C 5.1060 8.7606 114.1183 53.8668 43.2571 172.6122 103 S 5.2513 8.8500 113.2821 56.2754 66.2411 172.9878 104 V 4.7310 7.9794 116.2691 59.6744 35.8158 174.2558 105 I 4.8749 8.3191 124.6730 59.9279 39.0949 175.7135 106 S 4.2551 9.2180 121.5049 58.0677 64.5859 173.7424 107 N 4.2942 9.4218 127.6093 54.9096 35.4500 174.9226 108 S 3.7875 8.2197 107.7095 59.1679 61.0987 172.1958 109 V 4.2583 7.2823 119.6606 61.0236 33.5985 173.7037 110 M 4.6970 8.0545 124.7001 53.9252 34.0309 174.3420 111 Y 4.7031 8.2686 123.3118 56.1507 41.2096 174.7964 112 F 5.5179 8.8027 120.6618 55.8085 42.9039 174.5615 113 S 4.9014 8.4283 116.2093 56.7044 65.1777 174.1467 114 S 4.3119 8.4497 116.1438 58.3771 63.2086 174.6305 115 V 4.3250 8.1588 123.1434 63.0218 32.5077 175.2358 116 V 4.7151 9.2864 126.8183 59.7160 34.1672 172.6588 117 P 4.0368 0.0000 0.0000 62.1992 32.5563 175.5301 118 V 5.0267 9.1612 125.0446 59.7287 32.7786 173.8366 119 L 5.3123 7.9917 126.2635 52.7526 46.2628 174.2077 120 Q 5.0320 8.6754 117.9946 55.5174 31.3734 174.0016 121 K 4.6886 8.5013 118.0676 54.8098 35.1376 176.7334 122 V 3.9912 8.1990 118.2281 63.4134 31.5936 175.2570 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 4 A 8.26 4.12 1.20 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 5 P 0.00 4.72 0.00 1.18 1.72 0.00 2.61 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 1.43 1.70 0.00 6 E 9.73 4.44 0.00 1.99 1.76 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 2.18 2.24 0.00 7 L 8.57 4.57 0.00 1.54 1.59 0.86 0.93 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 8 R 9.16 4.22 0.00 1.86 1.82 0.00 3.34 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.48 0.00 9 I 7.94 4.93 1.90 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.95 0.00 0.00 10 F 9.08 5.06 0.00 3.07 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 11 P 0.00 4.81 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 12 K 8.57 4.23 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.42 7.81 13 K 7.58 4.61 0.00 1.69 1.73 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.41 7.81 14 M 8.81 4.47 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 15 D 8.74 4.72 0.00 2.57 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 16 A 7.62 4.99 0.53 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 0.00 0.00 17 E 8.54 4.74 0.00 2.02 1.84 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 2.33 2.30 0.00 18 L 8.15 4.23 0.00 1.61 1.62 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.93 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 20 Q 8.25 4.07 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 21 K 8.65 4.46 0.00 1.79 1.69 0.00 1.58 0.00 0.00 2.27 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.24 7.81 22 V 8.59 4.37 1.91 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 0.84 0.00 0.00 0.79 0.00 0.00 23 D 8.63 5.23 0.00 2.52 2.52 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 0.00 0.00 0.00 0.00 24 L 8.60 4.89 0.00 0.86 1.41 0.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.51 4.72 2.35 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 1.10 0.00 0.00 1.00 0.00 0.00 26 C 9.47 5.05 0.00 2.64 3.12 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 0.00 0.00 0.00 0.00 27 E 9.96 4.94 0.00 2.41 2.34 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 2.39 2.34 0.00 28 V 8.80 4.63 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 1.04 0.00 0.00 0.91 0.00 0.00 29 L 8.79 4.19 0.00 1.65 1.62 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.52 4.37 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 0.00 31 S 7.91 4.93 0.00 3.80 3.72 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 32 V 7.69 4.40 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 0.77 0.00 0.00 0.88 0.00 0.00 33 S 7.00 3.69 0.00 3.91 3.80 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 0.00 0.00 0.00 34 Q 8.27 4.77 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 35 G 8.54 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 0.00 0.00 0.00 36 C 7.73 4.72 0.00 1.93 1.18 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 37 S 8.84 5.27 0.00 3.82 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 38 W 8.91 4.90 0.00 3.06 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 39 L 9.25 5.35 0.00 0.27 1.18 1.07 1.01 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 40 F 9.25 5.15 0.00 2.86 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 41 Q 8.59 4.48 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 42 N 7.56 3.81 0.00 2.42 2.56 0.00 0.00 7.27 7.63 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 43 S 8.90 4.31 0.00 4.16 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 44 S 7.86 4.55 0.00 4.03 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 45 S 7.57 4.43 0.00 3.88 3.71 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 46 K 9.14 4.10 0.00 1.89 1.98 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.35 7.81 47 L 7.24 4.63 0.00 2.02 1.71 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.56 0.00 2.00 2.02 0.00 3.63 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 1.97 2.01 0.00 49 Q 7.34 4.48 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 50 P 0.00 4.77 0.00 2.17 2.36 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 51 T 8.91 4.80 4.38 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 1.27 0.00 0.00 52 F 8.91 4.53 0.00 3.01 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 53 V 8.44 4.01 1.99 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 0.33 0.00 0.00 0.87 0.00 0.00 54 V 6.61 4.00 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 -0.70 0.00 0.00 0.01 0.00 0.00 55 Y 8.66 5.19 0.00 3.47 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 56 M 7.96 4.93 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 57 A 8.11 4.35 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 58 S 8.80 4.27 0.00 4.04 4.14 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 0.00 0.00 0.00 0.00 59 S 7.17 4.40 0.00 3.78 3.56 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 60 H 7.32 4.36 0.00 3.25 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.46 4.75 0.00 2.74 2.82 0.00 0.00 6.69 7.61 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 62 K 7.70 4.69 0.00 1.96 1.77 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.58 7.81 63 I 8.57 4.67 1.97 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 1.40 1.15 0.68 0.00 0.00 64 T 9.10 4.61 4.52 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 0.00 0.00 0.00 1.36 0.00 0.00 65 W 8.82 4.69 0.00 3.25 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 66 D 8.75 4.92 0.00 3.04 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 67 E 9.33 4.04 0.00 2.31 2.30 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 2.45 2.51 0.00 68 K 8.27 4.52 0.00 2.06 1.94 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.50 7.81 69 L 8.52 4.68 0.00 1.80 1.88 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 70 N 6.78 3.53 0.00 2.92 2.76 0.00 0.00 6.67 7.31 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 71 S 7.63 4.79 0.00 3.79 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 72 S 7.24 4.90 0.00 3.88 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 73 K 8.10 4.35 0.00 1.61 1.68 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 1.19 7.81 74 L 7.31 3.93 0.00 1.03 0.96 0.84 0.92 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 75 F 7.96 6.23 0.00 2.87 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 76 S 8.79 5.07 0.00 3.92 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 77 A 8.89 5.35 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 78 M 8.60 4.73 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 79 R 8.59 4.88 0.00 1.69 1.71 0.00 2.81 0.00 0.00 2.25 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.00 80 D 8.45 4.50 0.00 2.71 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 81 T 8.47 3.29 4.18 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 1.18 0.00 0.00 82 N 8.71 4.77 0.00 2.91 2.81 0.00 0.00 5.65 8.04 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 83 N 7.90 4.94 0.00 3.00 3.00 0.00 0.00 6.06 7.20 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 84 K 7.42 4.93 0.00 2.02 1.71 0.00 1.86 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.32 7.81 85 Y 9.00 4.92 0.00 2.99 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 86 V 8.66 4.66 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 0.95 0.00 0.00 0.97 0.00 0.00 87 L 8.56 4.73 0.00 0.27 0.13 0.49 -0.28 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 88 T 8.76 4.86 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 1.27 0.00 0.00 89 L 8.82 4.29 0.00 1.55 1.59 0.46 0.83 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 90 N 8.75 4.26 0.00 2.58 2.82 0.00 0.00 6.58 7.42 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 91 K 7.59 4.50 0.00 1.49 1.64 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.32 7.81 92 F 8.11 4.83 0.00 3.27 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 S 7.32 4.37 0.00 3.89 3.76 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 94 K 8.34 3.95 0.00 1.77 1.86 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.36 7.81 95 E 7.49 4.30 0.00 1.86 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 2.35 2.26 0.00 96 N 7.91 5.13 0.00 2.68 2.77 0.00 0.00 6.65 7.61 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 97 E 9.56 5.37 0.00 2.04 1.91 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 2.48 2.74 0.00 98 G 8.13 4.50 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 0.00 0.00 0.00 99 Y 8.39 5.30 0.00 2.96 3.03 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 0.00 0.00 0.00 100 Y 9.24 5.66 0.00 3.09 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 0.00 101 F 8.84 5.48 0.00 3.14 3.27 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 0.00 102 C 8.76 5.11 0.00 2.24 1.20 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 0.00 103 S 8.85 5.25 0.00 3.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.98 4.73 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 0.60 0.00 0.00 0.90 0.00 0.00 105 I 8.32 4.87 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.88 0.00 0.00 106 S 9.22 4.26 0.00 3.82 3.90 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 0.00 107 N 9.42 4.29 0.00 2.96 2.89 0.00 0.00 7.20 7.57 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 0.00 108 S 8.22 3.79 0.00 4.01 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 0.00 109 V 7.28 4.26 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 0.42 0.00 0.00 0.89 0.00 0.00 110 M 8.05 4.70 0.00 1.96 1.83 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 2.26 1.82 0.00 111 Y 8.27 4.70 0.00 2.78 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 0.00 112 F 8.80 5.52 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 0.00 113 S 8.43 4.90 0.00 3.91 3.87 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 0.00 0.00 0.00 114 S 8.45 4.31 0.00 3.90 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 0.00 115 V 8.16 4.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.82 0.00 0.00 116 V 9.29 4.72 2.42 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 1.33 0.00 0.00 1.17 0.00 0.00 117 P 0.00 4.04 0.00 1.98 1.62 0.00 3.64 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 2.06 1.95 0.00 118 V 9.16 5.03 2.41 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 1.15 0.00 0.00 1.06 0.00 0.00 119 L 7.99 5.31 0.00 1.66 1.92 1.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.68 5.03 0.00 2.51 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 121 K 8.50 4.69 0.00 1.77 1.81 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.34 7.81 122 V 8.20 3.99 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 0.96 0.00 0.00