NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4595 8.3049 120.3377 54.9131 33.9178 176.1232 2 S 4.2317 7.8478 117.4667 56.0654 64.2187 171.3760 3 L 4.6155 7.8381 124.2977 53.3223 44.0178 175.1000 4 S 4.6518 8.6507 118.4484 59.6529 69.8207 175.9735 5 H 3.7877 8.0224 119.8147 57.9192 29.6933 174.1701 6 L 4.4117 7.5137 121.4105 53.0781 42.6059 176.6870 7 T 4.2004 7.9915 118.5411 60.7034 68.6758 175.0260 8 L 3.9821 8.3711 123.3094 58.0243 41.3139 179.3322 9 D 4.3889 8.1530 118.2987 57.6394 40.5871 178.8429 10 Q 4.0116 8.0885 118.6589 59.1434 28.5832 178.3418 11 Y 4.5718 7.7965 117.6005 61.0084 37.7372 177.7957 12 Y 4.2931 8.0130 120.6615 60.7955 38.8057 178.1010 13 E 3.9847 8.2573 119.1992 59.4585 29.3687 179.4195 14 I 3.8158 7.7892 118.2442 64.4366 37.6077 178.0848 15 Q 4.4074 8.5256 120.5864 58.6755 28.6906 178.3388 16 C 3.9181 8.1838 119.9147 62.5153 31.4503 175.2839 17 N 4.3076 8.1558 118.0610 56.3609 37.8337 177.2282 18 E 4.0987 7.9381 119.6192 59.1260 29.4499 179.2872 19 L 3.3258 7.5039 118.7897 57.6257 41.3032 179.3185 20 E 3.8300 7.8616 116.7831 59.1055 29.4413 178.9897 21 A 3.8741 8.0859 121.9140 55.1292 18.3987 179.7097 22 I 3.7859 8.1525 118.7075 64.2948 37.3569 178.6076 23 R 3.9318 8.3249 119.4920 59.6427 29.5989 179.2090 24 S 4.1318 7.5141 113.3099 61.2670 62.7903 176.5031 25 I 3.8501 6.8337 119.2924 63.3456 37.6833 177.0945 26 Y 5.0953 8.0498 117.6105 57.2780 38.3599 177.6561 27 M 4.4327 8.1114 120.4895 57.6891 32.8094 177.8300 28 D 4.8790 8.1892 116.4337 55.2962 43.0112 176.6343 29 D 5.0524 8.0289 118.9214 54.7335 41.0492 175.1068 30 F 5.2776 8.0117 120.4043 56.7709 41.5489 174.5906 31 T 4.4164 7.5239 120.5454 61.5641 71.8002 172.3876 32 D 5.1034 8.6778 126.1525 52.9219 41.5928 175.5808 33 L 4.6204 8.5252 125.0238 55.5864 42.3859 176.9033 34 T 4.0378 7.9099 116.3082 63.8289 69.0321 173.9596 35 K 4.6382 8.4267 121.4078 57.0890 30.6120 178.7423 36 R 4.1400 7.6038 119.0871 57.6156 32.6952 177.1207 37 K 3.9469 7.1280 114.8504 57.2613 31.7586 173.6900 38 S 3.8891 8.2450 119.1220 59.4171 62.0840 173.4959 39 S 4.5119 7.3971 116.2962 58.4090 64.0734 173.8134 40 W 4.3741 8.6201 129.2920 58.9399 31.0926 176.5190 41 D 4.5916 7.3779 112.8627 53.9030 44.1188 173.7917 42 K 4.4743 8.5784 120.4514 56.1844 34.5005 176.9188 43 Q 4.7771 8.4065 122.1187 54.9016 30.1194 174.5149 44 P 4.4888 0.0000 0.0000 63.0360 32.7389 176.1390 45 Q 4.5774 8.6624 119.2883 55.5317 30.0532 175.7960 46 I 3.5687 8.1800 117.3943 61.2784 37.8538 173.4677 47 I 3.9685 6.9274 111.8861 61.5488 37.4016 174.5768 48 F 4.9817 8.4749 115.0903 56.1794 41.6055 172.6391 49 E 4.4364 8.2920 118.4141 54.6893 32.6517 175.1607 50 I 4.8280 7.8053 121.9351 59.7872 41.4154 174.6927 51 T 4.4425 8.1489 123.1300 63.0350 69.0275 174.2680 52 L 4.9273 8.3757 125.7519 52.8588 46.1554 175.5019 53 R 5.4534 8.3842 115.9599 56.0051 31.4674 173.9061 54 S 4.3708 8.3135 114.3018 58.9955 62.7658 174.1520 55 V 4.0265 8.4494 111.0316 62.5221 32.3216 174.9958 56 D 5.2287 7.7550 117.9895 52.4869 43.6013 174.2548 57 K 4.6170 8.6746 114.2458 56.1294 34.2458 175.8137 58 E 4.8524 7.8419 117.5890 53.5313 32.3326 174.3665 59 P 4.4253 0.0000 0.0000 64.6477 31.6850 175.7783 60 V 4.4829 7.2630 110.7621 60.6104 35.9245 173.4460 61 E 4.4686 8.5351 118.7740 56.0604 31.1939 174.9569 62 S 3.3879 7.5368 107.1784 59.1960 59.6811 168.0634 63 S 5.2210 7.6810 118.4491 56.2519 64.6638 172.4799 64 I 5.0253 8.8127 127.0183 60.0130 41.9657 174.1184 65 T 4.8240 8.2600 121.0789 61.9750 70.7458 173.4900 66 L 4.3334 8.2740 127.5383 53.4046 43.5707 175.2082 67 H 4.3029 7.9386 125.3558 54.2462 31.3265 173.0313 68 F 5.3456 7.1440 123.9449 54.8864 41.3294 174.8200 69 A 4.7164 8.2283 123.8259 50.5005 21.5207 175.3862 70 M 4.3185 8.7469 123.6565 53.7231 31.1267 176.3998 71 T 4.0024 8.4279 114.1650 60.9519 69.3777 173.5538 72 P 4.7312 0.0000 0.0000 64.2659 31.3600 176.5568 73 M 4.6142 7.6579 118.3759 56.0063 34.3232 175.7585 74 Y 4.2945 7.2299 118.6653 57.1763 39.2167 174.8306 75 P 3.2126 0.0000 0.0000 64.3916 31.8391 177.0627 76 Y 4.0152 7.0678 120.5583 60.2459 38.7635 175.7325 77 T 4.5127 7.6380 106.4597 59.5876 71.5552 172.4474 78 A 4.7288 8.1575 124.1428 49.8703 20.3969 176.3277 79 P 4.7042 0.0000 0.0000 61.6870 32.9141 174.2821 80 E 4.6698 8.5245 117.6020 54.9185 32.5782 175.2990 81 I 5.3336 8.6622 126.8032 58.6155 40.3315 174.7538 82 E 4.3845 7.9405 122.3871 54.7959 32.9914 173.8671 83 F 5.1954 8.3479 121.1006 55.8393 40.5273 174.9323 84 K 4.2257 8.2530 120.4879 55.2660 36.0356 173.7253 85 N 4.2311 9.2140 117.8984 51.0827 37.1366 175.4028 86 V 3.0952 7.2500 116.0549 62.6768 29.1749 173.1642 87 Q 4.0755 7.7385 121.4774 56.7013 29.3505 176.9903 88 N 4.3616 8.7056 117.7859 55.6909 39.8120 176.0217 89 V 3.7804 7.5371 115.8597 62.3149 32.0104 175.3205 90 M 4.2459 8.3690 122.7405 55.6682 32.9898 176.3694 91 D 4.6771 7.5204 125.5129 53.1417 40.6801 178.2776 92 S 4.0342 7.6232 114.0450 61.5356 62.1140 176.1834 93 Q 3.6962 7.6697 120.0156 58.4912 28.2830 178.4525 94 L 2.9642 7.2306 119.4956 57.6845 41.6019 179.4730 95 Q 3.9010 8.1909 118.3213 58.9059 28.0652 178.4086 96 M 3.9681 7.8439 119.4230 58.6393 32.2458 178.3334 97 L 3.9223 7.4807 118.7548 57.5668 41.5152 179.4183 98 K 3.0958 7.0793 117.5860 59.3941 31.7245 178.9238 99 S 4.2102 7.6739 113.3710 61.3821 62.3363 176.0158 100 E 4.1721 7.8613 120.4012 58.9690 29.2266 179.0693 101 F 4.4660 8.2631 118.1672 60.2629 38.8598 177.5499 102 K 3.9998 7.9018 118.8223 59.3919 32.1669 179.1186 103 K 4.0209 7.9765 118.3510 59.3659 31.9758 179.3038 104 I 3.4883 7.7224 120.0844 64.5705 37.0863 177.9763 105 H 4.0293 8.1480 119.0275 59.3139 29.4632 176.8645 106 N 4.3304 8.0384 117.2366 56.7559 38.4618 176.8705 107 T 4.1444 7.7068 112.7734 64.0015 67.6515 175.7569 108 S 4.8724 7.9592 116.2326 57.2748 64.2449 174.2757 109 R 4.2625 7.4875 124.4765 55.6831 27.3138 174.3613 110 G 3.2772 7.5899 114.8829 44.3357 0.0000 170.6739 111 Q 4.7163 7.3063 118.6915 53.8823 31.1497 174.6317 112 E 4.9367 8.9088 116.9516 56.5470 29.8892 176.9187 113 I 4.4715 8.3762 114.1339 60.2061 39.5968 177.5335 114 I 2.8722 7.6501 122.7531 64.3232 36.8108 177.7403 115 F 4.4434 8.0009 122.3408 60.5483 39.2276 177.0363 116 E 3.9759 8.1326 117.9009 59.4321 29.4338 178.9502 117 I 3.5958 7.9229 119.2666 64.1556 37.8598 178.0572 118 T 4.0370 7.9033 110.7526 65.0013 68.6853 176.8707 119 S 4.0254 8.2885 118.5599 61.1000 62.7965 176.6431 120 F 3.9403 8.7340 121.1316 60.7956 38.7472 177.9019 121 T 4.0435 8.3102 109.4630 64.7882 68.5684 176.4183 122 Q 3.9521 8.5609 123.1031 58.7069 29.1478 177.9524 123 E 3.9117 8.5648 119.0408 59.5550 29.4022 179.0762 124 K 3.9865 7.9386 119.8987 58.5309 32.6061 178.2901 125 L 4.0641 8.4156 121.0806 58.1890 42.2157 178.3084 126 D 4.3813 8.4807 118.6357 57.4743 41.3221 178.1296 127 E 3.9265 8.2958 117.9575 59.7692 29.3525 178.0805 128 F 3.8421 8.4259 121.8180 60.5434 39.1323 176.7996 129 Q 3.9363 7.8778 118.3721 59.3183 29.2410 179.2466 130 N 4.5955 7.6732 115.9808 55.4511 40.2960 175.7581 131 V 4.2922 7.7440 114.4279 58.5605 31.8964 174.3542 132 V 4.0835 7.4330 120.9777 59.1252 33.9368 177.5891 133 N 4.5592 8.3291 121.4542 53.4172 36.5013 174.1679 134 T 4.1026 7.7090 116.4456 62.0407 68.5382 172.5857 135 Q 4.5570 8.5511 124.0126 55.9095 35.6485 172.6449 136 S 3.5930 8.1938 117.6721 58.3384 62.5477 171.3891 137 L 3.4589 8.4893 118.8445 55.7720 39.4166 174.1765 138 E 4.1469 8.3031 119.5351 56.0616 29.5860 177.5100 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 4.46 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 2 S 7.85 4.23 0.00 3.91 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 3 L 7.84 4.62 0.00 1.53 1.53 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.65 4.65 0.00 3.89 3.88 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 5 H 8.02 3.79 0.00 3.12 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.51 4.41 0.00 1.52 1.37 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.99 4.20 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 1.14 0.00 0.00 8 L 8.37 3.98 0.00 1.74 1.83 1.01 1.23 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 9 D 8.15 4.39 0.00 2.71 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 10 Q 8.09 4.01 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 11 Y 7.80 4.57 0.00 3.34 3.22 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 0.00 0.00 0.00 0.00 12 Y 8.01 4.29 0.00 3.15 3.05 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 0.00 0.00 0.00 0.00 13 E 8.26 3.98 0.00 2.16 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 0.00 2.42 2.55 0.00 14 I 7.79 3.82 2.27 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.43 1.10 0.00 0.00 15 Q 8.53 4.41 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.23 0.00 0.00 0.00 0.00 0.00 2.14 2.68 0.00 16 C 8.18 3.92 0.00 2.77 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 17 N 8.16 4.31 0.00 3.07 2.84 0.00 0.00 7.03 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.94 4.10 0.00 2.24 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 2.46 2.39 0.00 19 L 7.50 3.33 0.00 1.66 1.34 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.86 3.83 0.00 2.12 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 2.42 2.39 0.00 21 A 8.09 3.87 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 22 I 8.15 3.79 2.21 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 1.72 0.88 1.42 0.00 0.00 23 R 8.32 3.93 0.00 1.88 1.80 0.00 2.77 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.34 0.00 24 S 7.51 4.13 0.00 3.87 3.83 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 25 I 6.83 3.85 1.65 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.27 0.48 0.00 0.00 26 Y 8.05 5.10 0.00 3.23 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 M 8.11 4.43 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 28 D 8.19 4.88 0.00 2.77 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 29 D 8.03 5.05 0.00 3.01 2.54 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 30 F 8.01 5.28 0.00 3.32 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 31 T 7.52 4.42 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 1.05 0.00 0.00 32 D 8.68 5.10 0.00 2.93 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 33 L 8.53 4.62 0.00 1.64 1.59 0.62 0.74 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 34 T 7.91 4.04 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 1.27 0.00 0.00 35 K 8.43 4.64 0.00 1.90 1.83 0.00 1.54 0.00 0.00 2.01 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.54 7.81 36 R 7.60 4.14 0.00 1.82 1.83 0.00 3.16 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 37 K 7.13 3.95 0.00 1.64 1.77 0.00 1.97 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.59 7.81 38 S 8.25 3.89 0.00 4.02 3.88 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 39 S 7.40 4.51 0.00 3.96 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 40 W 8.62 4.37 0.00 3.41 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 41 D 7.38 4.59 0.00 2.90 2.66 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 42 K 8.58 4.47 0.00 1.66 1.59 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 43 Q 8.41 4.78 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 P 0.00 4.49 0.00 2.28 2.11 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 45 Q 8.66 4.58 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.61 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 46 I 8.18 3.57 1.86 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 1.03 0.00 0.00 47 I 6.93 3.97 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.99 0.00 0.00 48 F 8.47 4.98 0.00 3.06 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 49 E 8.29 4.44 0.00 1.69 1.58 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 1.82 1.98 0.00 50 I 7.81 4.83 1.96 0.00 0.00 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 1.55 1.81 0.65 0.00 0.00 51 T 8.15 4.44 4.16 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 1.16 0.00 0.00 52 L 8.38 4.93 0.00 1.74 1.50 0.99 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.38 5.45 0.00 2.02 1.86 0.00 2.81 0.00 0.00 3.91 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.24 0.00 54 S 8.31 4.37 0.00 3.90 3.98 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 55 V 8.45 4.03 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 0.75 0.00 0.00 0.98 0.00 0.00 56 D 7.76 5.23 0.00 2.58 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 57 K 8.67 4.62 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.36 7.81 58 E 7.84 4.85 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 59 P 0.00 4.43 0.00 2.18 2.18 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 60 V 7.26 4.48 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 0.69 0.00 0.00 1.10 0.00 0.00 61 E 8.54 4.47 0.00 1.97 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 2.27 2.26 0.00 62 S 7.54 3.39 0.00 3.96 3.85 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 63 S 7.68 5.22 0.00 3.92 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 64 I 8.81 5.03 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 1.04 0.00 0.00 65 T 8.26 4.82 4.16 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 1.07 0.00 0.00 66 L 8.27 4.33 0.00 1.53 1.08 1.18 0.98 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 67 H 7.94 4.30 0.00 2.87 2.88 0.00 5.75 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.14 5.35 0.00 2.75 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 69 A 8.23 4.72 1.12 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 0.00 0.00 70 M 8.75 4.32 0.00 1.48 2.09 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 71 T 8.43 4.00 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 1.25 0.00 0.00 72 P 0.00 4.73 0.00 2.27 2.27 0.00 3.76 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 2.04 2.03 0.00 73 M 7.66 4.61 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 74 Y 7.23 4.29 0.00 2.75 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 75 P 0.00 3.21 0.00 1.77 1.12 0.00 3.29 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 76 Y 7.07 4.02 0.00 2.74 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 77 T 7.64 4.51 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 1.36 0.00 0.00 78 A 8.16 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.70 0.00 2.13 2.13 0.00 3.47 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 80 E 8.52 4.67 0.00 1.98 1.72 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 2.16 2.22 0.00 81 I 8.66 5.33 1.90 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 0.98 0.44 0.58 0.00 0.00 82 E 7.94 4.38 0.00 1.87 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 2.10 2.24 0.00 83 F 8.35 5.20 0.00 2.92 2.96 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 84 K 8.25 4.23 0.00 1.58 1.64 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.28 7.81 85 N 9.21 4.23 0.00 2.85 2.81 0.00 0.00 7.11 7.64 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 86 V 7.25 3.10 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 0.61 0.00 0.00 0.92 0.00 0.00 87 Q 7.74 4.08 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 88 N 8.71 4.36 0.00 2.69 2.88 0.00 0.00 6.95 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 89 V 7.54 3.78 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 0.77 0.00 0.00 0.72 0.00 0.00 90 M 8.37 4.25 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 91 D 7.52 4.68 0.00 2.74 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 92 S 7.62 4.03 0.00 3.89 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 93 Q 7.67 3.70 0.00 1.72 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 94 L 7.23 2.96 0.00 1.45 0.85 0.78 0.36 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 95 Q 8.19 3.90 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 96 M 7.84 3.97 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 97 L 7.48 3.92 0.00 1.58 1.55 0.84 1.44 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 98 K 7.08 3.10 0.00 1.75 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.78 1.68 7.81 99 S 7.67 4.21 0.00 3.80 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 0.00 100 E 7.86 4.17 0.00 2.37 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 0.00 2.45 2.68 0.00 101 F 8.26 4.47 0.00 3.29 3.05 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 0.00 0.00 0.00 0.00 102 K 7.90 4.00 0.00 1.99 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 103 K 7.98 4.02 0.00 2.02 1.83 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.61 7.81 104 I 7.72 3.49 1.69 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.19 0.73 0.00 0.00 105 H 8.15 4.03 0.00 3.30 3.26 0.00 5.60 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 0.00 106 N 8.04 4.33 0.00 3.03 2.88 0.00 0.00 7.14 6.83 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 0.00 107 T 7.71 4.14 4.23 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 1.27 0.00 0.00 108 S 7.96 4.87 0.00 4.03 3.75 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 0.00 109 R 7.49 4.26 0.00 1.93 1.93 0.00 3.21 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 110 G 7.59 3.28 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 0.00 111 Q 7.31 4.72 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 112 E 8.91 4.94 0.00 2.01 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 2.36 2.28 0.00 113 I 8.38 4.47 1.77 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 1.46 1.12 0.91 0.00 0.00 114 I 7.65 2.87 1.78 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 -0.07 0.00 0.00 115 F 8.00 4.44 0.00 3.07 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 0.00 116 E 8.13 3.98 0.00 2.07 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 2.47 2.31 0.00 117 I 7.92 3.60 1.72 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.39 1.03 0.00 0.00 118 T 7.90 4.04 4.46 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 1.48 0.00 0.00 119 S 8.29 4.03 0.00 3.81 3.85 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 0.00 120 F 8.73 3.94 0.00 3.34 3.28 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 0.00 121 T 8.31 4.04 4.42 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 1.69 0.00 0.00 122 Q 8.56 3.95 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 123 E 8.56 3.91 0.00 2.12 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 0.00 2.39 2.19 0.00 124 K 7.94 3.99 0.00 2.04 1.94 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.59 7.81 125 L 8.42 4.06 0.00 1.76 1.94 0.91 1.22 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 0.00 126 D 8.48 4.38 0.00 2.75 2.84 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 0.00 127 E 8.30 3.93 0.00 2.29 2.38 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 2.32 2.67 0.00 128 F 8.43 3.84 0.00 3.47 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 0.00 129 Q 7.88 3.94 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 130 N 7.67 4.60 0.00 2.87 2.84 0.00 0.00 7.02 7.58 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 0.00 131 V 7.74 4.29 1.93 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 0.68 0.00 0.00 0.84 0.00 0.00 132 V 7.43 4.08 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 0.75 0.00 0.00 1.15 0.00 0.00 133 N 8.33 4.56 0.00 2.65 2.81 0.00 0.00 7.00 7.70 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 0.00 134 T 7.71 4.10 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 1.20 0.00 0.00 135 Q 8.55 4.56 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.92 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 136 S 8.19 3.59 0.00 4.06 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 0.00 137 L 8.49 3.46 0.00 1.68 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.30 4.15 0.00 2.11 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 2.27 2.30 0.00