NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4013 8.3044 120.3582 54.8655 33.6067 175.6211 2 F 4.0341 8.3828 120.1598 57.7977 40.0822 172.5287 3 K 4.0508 7.1729 126.5341 53.7654 36.6539 173.8636 4 P 4.4455 0.0000 0.0000 62.3607 33.0080 175.3300 5 H 4.5182 9.1663 118.8329 55.7510 30.0579 174.6074 6 V 5.0734 8.6975 123.4620 61.6036 33.3648 174.4056 7 T 5.3139 9.2385 117.7073 60.0543 72.3779 173.2238 8 V 5.3786 9.0071 115.5002 59.9917 35.6509 174.6160 9 A 5.2432 9.2913 123.4077 50.8329 23.0574 174.8087 10 C 5.1709 8.9455 117.2620 58.0070 31.6072 174.4446 11 V 4.1552 8.8098 123.7774 61.5476 32.4529 174.1746 12 V 4.7699 8.1598 128.6861 61.8021 33.0077 173.7561 13 H 5.0526 8.9347 128.1956 54.3977 32.7280 172.4702 14 A 4.2213 8.7981 123.0582 51.6746 23.0057 176.1267 15 E 3.5575 9.5273 118.9370 57.4799 27.0951 176.1779 16 G 3.9597 7.9838 102.3836 45.9256 0.0000 173.1356 17 K 5.0347 8.2501 118.1197 54.4585 37.0503 175.0717 18 F 5.2173 9.8575 122.1240 55.5353 41.6368 174.8510 19 L 3.6576 7.9220 126.2239 54.4484 42.5595 176.4297 20 V 4.4053 8.8400 126.0851 59.9712 34.7389 174.9517 21 V 4.4333 8.3358 117.4552 60.0726 33.9923 174.3644 22 E 5.2440 9.1757 124.9907 54.4844 31.9850 174.2648 23 E 5.1720 9.3924 127.6325 54.7062 33.3412 174.3213 24 T 4.5072 8.5493 122.4065 64.3069 69.4744 172.1914 25 I 4.0430 9.0228 126.1788 61.6937 39.1653 177.0924 26 N 4.5983 8.9379 124.3726 53.0483 38.2604 175.5282 27 G 3.9747 8.0107 100.8707 46.0702 0.0000 172.0829 28 K 4.6563 7.7124 117.9893 53.7051 35.7246 175.2990 29 A 4.6106 8.7983 127.0018 52.2511 18.9056 176.5344 30 L 4.8830 9.4283 122.9893 52.9606 45.8558 176.0963 31 W 5.3607 9.2650 123.0000 56.2289 30.9521 175.0139 32 N 5.3149 9.0627 121.1207 51.7147 42.7127 173.5602 33 Q 4.4138 8.5814 120.7121 55.0344 30.5743 174.0359 34 P 4.5045 0.0000 0.0000 63.6058 32.1545 175.2805 35 A 4.9798 8.3477 125.3315 51.1108 22.8417 175.7524 36 G 4.3014 8.4631 104.4259 47.1667 0.0000 172.1399 37 H 5.3097 9.0401 116.6612 54.7946 30.0956 175.4124 38 L 4.2963 9.2329 124.6353 55.1371 42.6290 176.0443 39 E 4.7029 8.8239 124.4376 53.8120 32.4373 175.7026 40 A 4.1447 8.3743 122.6301 53.5461 18.8272 176.6092 41 D 4.5249 8.7282 117.1387 55.1428 38.7200 173.5482 42 E 5.0428 8.2659 116.4431 54.1027 33.0296 175.5970 43 T 3.8127 9.2184 122.0029 62.7172 70.6744 176.2947 44 L 3.9379 7.9441 122.8904 58.1048 41.6094 180.3562 45 V 3.1179 7.4697 111.8647 63.8325 31.2776 178.2624 46 E 3.8125 7.9429 117.8146 59.3216 29.4285 178.6422 47 A 4.0173 8.2604 120.8845 55.4014 18.3701 179.5599 48 A 3.8410 7.9701 118.6372 55.2281 18.3992 179.5002 49 A 4.0421 8.1043 119.7128 55.3922 18.3057 179.9045 50 R 3.8829 8.4023 117.2821 59.6958 30.2788 178.4989 51 E 4.0078 8.6763 118.7841 59.3377 29.3958 178.9175 52 L 3.9370 7.8982 120.3094 58.0378 42.0934 179.0286 53 W 4.1097 8.1065 127.4958 60.7046 30.7450 177.9100 54 E 3.8544 8.9072 118.7106 58.6849 28.5979 178.4699 55 E 4.3796 7.9269 116.6577 56.4580 31.4200 177.2533 56 T 4.3414 8.2952 108.6256 60.6330 70.3037 175.9215 57 G 3.7220 8.1708 108.4407 45.8667 0.0000 172.9175 58 I 4.3697 7.4754 113.2296 59.3229 39.1514 176.0275 59 S 4.6994 8.6624 119.7420 57.1876 62.3253 173.2184 60 A 4.6858 8.0639 127.0125 50.0215 22.0352 175.6237 61 Q 4.1086 8.5546 123.4149 54.8996 29.9107 174.1848 62 P 4.3959 0.0000 0.0000 63.3708 31.9727 176.0037 63 Q 4.4906 9.1003 121.2860 57.6194 30.2298 175.8122 64 H 5.1413 8.0792 113.5999 54.0171 34.0305 172.3045 65 F 4.8830 9.0700 123.7531 58.0779 40.0334 176.1707 66 I 3.6942 8.4592 127.9579 62.1706 37.8216 176.2789 67 R 3.7864 5.8400 122.1836 56.1399 32.9342 171.9581 68 M 4.9858 8.4943 122.5962 54.1007 34.5327 174.4228 69 H 4.9489 9.2014 122.1979 54.0165 31.9228 172.6925 70 Q 5.2770 8.5269 124.0671 54.4466 30.6744 174.2849 71 W 4.9367 8.8726 121.4964 56.0563 32.1619 172.9687 72 I 4.5693 8.2890 120.7167 59.3394 39.2168 175.8118 73 A 3.8355 7.9315 129.7360 50.2234 19.8646 176.5090 74 P 4.2071 0.0000 0.0000 66.0028 31.3121 177.8514 75 D 4.2525 8.0429 115.3127 55.7239 41.0698 177.3790 76 K 3.8358 8.5100 116.5866 57.1783 30.2144 175.5061 77 T 3.8832 7.2004 116.9104 62.2215 69.6656 172.1528 78 P 4.5755 0.0000 0.0000 62.1886 32.7640 175.3225 79 F 5.5592 9.1981 123.5924 55.6531 42.9103 174.4746 80 L 4.9305 9.8349 123.1293 53.2310 44.1752 175.1257 81 R 5.2060 9.0545 125.8459 54.5591 32.4273 174.5527 82 F 5.0589 9.5877 126.4482 56.2732 40.8272 174.5089 83 L 5.2397 9.3601 126.6002 53.5101 44.2700 175.2198 84 F 5.6159 9.0893 122.9660 55.6943 43.3574 173.6784 85 A 5.5040 9.3579 121.0160 50.5785 22.5277 175.4910 86 I 4.9058 8.8760 120.7807 59.8703 41.7884 173.9991 87 E 5.1246 9.0635 126.6983 54.8528 30.7674 175.4022 88 L 4.5329 8.6872 125.6835 53.2634 42.7290 177.1179 89 E 4.0737 8.9206 122.5564 59.3334 29.6783 177.3826 90 Q 4.4192 7.3139 113.1221 54.1257 31.3985 173.9137 91 I 2.9150 8.2114 114.4262 60.4669 37.8783 175.2541 92 C 4.7951 8.0208 118.2592 55.0761 32.3515 171.6738 93 P 4.4998 0.0000 0.0000 62.9975 31.4421 176.0080 94 T 4.8697 7.7770 110.0085 60.3590 72.0589 173.3327 95 Q 4.3284 9.0064 120.5447 54.7108 32.6370 171.4557 96 P 4.0641 0.0000 0.0000 62.4032 32.2303 176.2687 97 H 4.7455 7.5096 117.9117 53.3422 27.7139 175.2674 98 D 4.2412 7.8164 113.8423 54.1557 42.8637 176.0505 99 S 4.0701 8.7865 124.2642 61.8662 63.1959 176.3550 100 D 4.4582 7.4808 119.3564 57.0270 40.7272 177.2316 101 I 4.0559 7.5385 120.6782 61.1979 37.3396 175.9728 102 D 4.4464 9.1830 127.0946 55.8041 41.1870 176.0873 103 C 4.9377 7.0592 113.6705 58.5968 31.5306 172.4652 104 C 5.1237 8.3577 116.6769 58.2625 30.1456 173.5563 105 R 4.5656 8.8472 117.1447 54.6319 33.1401 173.8179 106 W 5.2353 8.6851 120.3030 55.1133 30.7231 175.5598 107 V 4.7500 8.9990 124.6456 59.6367 35.1525 175.5056 108 S 4.8613 10.2172 117.2479 57.3637 64.4903 175.3259 109 A 3.7788 8.9689 122.8622 55.2642 17.9827 179.5422 110 E 3.8974 8.2882 115.5662 60.0134 29.2290 178.9466 111 E 4.0329 7.8586 117.9680 59.4188 29.6964 179.1531 112 I 3.9856 7.9197 119.6768 63.9923 37.0344 178.1186 113 L 3.3689 7.9920 120.6954 57.7650 41.6894 178.7987 114 Q 4.2708 8.1304 116.9528 55.5191 29.8079 175.6599 115 A 3.9900 8.1144 123.5318 52.9773 18.8328 177.4574 116 S 4.5843 8.2370 115.3714 58.4401 64.2869 174.3169 117 N 4.9316 7.1719 118.8428 52.1371 37.2781 174.5118 118 L 4.6211 7.7475 118.1644 55.7002 42.3521 178.1281 119 R 4.2512 8.6247 122.9945 59.0443 30.7033 176.2412 120 S 4.6389 7.6299 111.4145 56.5168 65.5261 173.2425 121 P 4.3169 0.0000 0.0000 64.2369 31.2744 178.5438 122 L 3.7265 7.5392 119.2184 56.6222 41.1324 179.3044 123 V 3.7896 7.3024 119.2800 65.3283 31.8431 177.2348 124 A 4.0414 7.8748 119.9489 55.4640 18.1278 178.8549 125 E 3.7920 7.7173 117.4429 59.6478 29.5470 179.2286 126 S 4.0773 8.0719 115.0499 61.7137 62.9065 176.7989 127 I 3.6106 7.6868 122.3923 64.2578 36.7345 178.7351 128 R 3.9261 7.8293 118.4688 59.3595 29.7369 178.6469 129 C 4.0674 7.9930 115.5208 62.9817 28.5836 175.2216 130 Y 4.1313 8.5011 121.3480 60.9279 38.2019 178.2162 131 Q 4.0438 8.5121 118.3538 58.7549 28.9244 178.4402 132 S 4.2169 8.2997 114.0688 59.0032 63.0453 175.6075 133 G 3.6652 7.6194 109.9438 45.5082 0.0000 173.7924 134 Q 3.7790 7.3910 117.9965 56.0438 28.7003 175.7264 135 R 4.5396 7.7594 120.9204 54.4468 33.9396 174.4439 136 Y 5.1701 8.4316 116.6032 56.0159 43.1971 172.9573 137 P 4.7421 0.0000 0.0000 62.4312 32.3295 177.3969 138 L 4.1331 9.1753 124.2613 58.3667 41.3064 179.2175 139 E 4.2095 8.1750 115.9863 57.8478 29.1787 178.0053 140 M 4.3915 7.9572 117.3420 56.4400 31.6513 176.6042 141 I 4.4472 7.3638 112.4723 60.3072 38.4022 175.6079 142 G 3.8587 8.0732 109.6786 44.7924 0.0000 173.2694 143 D 4.6091 8.0134 118.5950 52.4168 40.4560 175.5915 144 F 4.7578 8.4484 121.6823 57.9465 42.2705 174.4870 145 N 3.8819 8.0386 124.9396 53.3998 36.1312 174.6554 146 W 4.3130 8.1420 126.7095 57.4430 31.4010 173.1582 147 P 4.2825 0.0000 0.0000 62.3976 30.9439 175.2694 148 F 5.0832 6.7068 116.0655 55.7076 42.5064 174.8552 149 T 4.1746 8.6056 119.3160 64.0611 68.6628 174.7167 150 K 4.8840 9.1273 121.5394 53.7888 34.2421 176.2339 151 G 4.0554 7.2003 106.1639 45.6240 0.0000 171.5348 152 V 4.3822 7.4935 117.0347 61.2733 34.1131 174.5531 153 I 3.5435 8.3429 120.8592 62.0325 36.7201 173.6255 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 4.40 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 F 8.38 4.03 0.00 3.13 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 3 K 7.17 4.05 0.00 1.49 1.44 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.48 7.81 4 P 0.00 4.45 0.00 2.13 2.13 0.00 3.61 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 5 H 9.17 4.52 0.00 3.11 3.57 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.70 5.07 2.25 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 1.44 0.00 0.00 1.10 0.00 0.00 7 T 9.24 5.31 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 1.16 0.00 0.00 8 V 9.01 5.38 2.37 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 1.00 0.00 0.00 1.07 0.00 0.00 9 A 9.29 5.24 1.26 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 0.00 0.00 10 C 8.95 5.17 0.00 2.87 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 11 V 8.81 4.16 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 0.87 0.00 0.00 0.96 0.00 0.00 12 V 8.16 4.77 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 1.08 0.00 0.00 0.93 0.00 0.00 13 H 8.93 5.05 0.00 2.53 3.24 0.00 5.67 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 14 A 8.80 4.22 0.84 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 15 E 9.53 3.56 0.00 1.75 1.83 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 2.07 2.01 0.00 16 G 7.98 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 0.00 0.00 0.00 17 K 8.25 5.03 0.00 1.82 2.00 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 18 F 9.86 5.22 0.00 2.79 2.87 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 19 L 7.92 3.66 0.00 0.27 0.89 -0.13 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.84 4.41 1.78 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 0.01 0.00 0.00 0.89 0.00 0.00 21 V 8.34 4.43 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 0.63 0.00 0.00 0.95 0.00 0.00 22 E 9.18 5.24 0.00 2.02 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 2.28 2.39 0.00 23 E 9.39 5.17 0.00 2.04 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 2.21 2.43 0.00 24 T 8.55 4.51 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 1.22 0.00 0.00 25 I 9.02 4.04 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.95 0.00 0.00 26 N 8.94 4.60 0.00 2.72 2.80 0.00 0.00 6.82 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 27 G 8.01 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 28 K 7.71 4.66 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.39 7.81 29 A 8.80 4.61 1.30 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 0.00 0.00 0.00 30 L 9.43 4.88 0.00 1.60 1.54 0.90 0.77 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 31 W 9.26 5.36 0.00 3.19 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 32 N 9.06 5.31 0.00 2.82 2.59 0.00 0.00 7.08 6.53 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 33 Q 8.58 4.41 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 34 P 0.00 4.50 0.00 2.04 1.96 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 35 A 8.35 4.98 1.24 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 0.00 0.00 0.00 36 G 8.46 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 0.00 0.00 0.00 0.00 37 H 9.04 5.31 0.00 3.13 3.31 0.00 5.70 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 38 L 9.23 4.30 0.00 1.68 1.74 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.82 4.70 0.00 2.20 1.85 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 2.26 2.26 0.00 40 A 8.37 4.14 1.24 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 0.00 0.00 0.00 41 D 8.73 4.52 0.00 2.43 1.71 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 42 E 8.27 5.04 0.00 2.01 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 2.17 2.43 0.00 43 T 9.22 3.81 4.09 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 0.00 0.00 0.97 0.00 0.00 44 L 7.94 3.94 0.00 1.49 1.62 -0.03 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.47 3.12 1.86 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 0.69 0.00 0.00 0.78 0.00 0.00 46 E 7.94 3.81 0.00 2.17 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 2.37 2.31 0.00 47 A 8.26 4.02 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 48 A 7.97 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.10 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 3.88 0.00 1.94 2.11 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 51 E 8.68 4.01 0.00 2.00 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 2.56 2.60 0.00 52 L 7.90 3.94 0.00 2.04 1.84 0.96 1.00 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 53 W 8.11 4.11 0.00 3.49 3.40 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 54 E 8.91 3.85 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 2.60 2.84 0.00 55 E 7.93 4.38 0.00 1.99 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 2.21 2.34 0.00 56 T 8.30 4.34 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 1.08 0.00 0.00 57 G 8.17 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 0.00 0.00 0.00 58 I 7.48 4.37 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.99 0.00 0.00 59 S 8.66 4.70 0.00 3.98 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 60 A 8.06 4.69 1.24 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 0.00 0.00 0.00 61 Q 8.55 4.11 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 62 P 0.00 4.40 0.00 1.96 1.72 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 63 Q 9.10 4.49 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 64 H 8.08 5.14 0.00 3.21 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.07 4.88 0.00 3.12 3.21 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 0.00 66 I 8.46 3.69 1.82 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 1.10 0.73 0.80 0.00 0.00 67 R 5.84 3.79 0.00 1.69 1.53 0.00 3.01 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.28 0.00 68 M 8.49 4.99 0.00 1.91 1.75 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 1.01 2.18 0.00 69 H 9.20 4.95 0.00 3.06 3.15 0.00 5.84 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 70 Q 8.53 5.28 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 71 W 8.87 4.94 0.00 3.65 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 72 I 8.29 4.57 1.78 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 1.16 0.63 0.72 0.00 0.00 73 A 7.93 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.21 0.00 2.09 2.19 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 75 D 8.04 4.25 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 76 K 8.51 3.84 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.35 7.81 77 T 7.20 3.88 3.57 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 0.00 0.00 0.18 0.00 0.00 78 P 0.00 4.58 0.00 2.10 2.10 0.00 3.16 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 79 F 9.20 5.56 0.00 2.88 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 80 L 9.83 4.93 0.00 1.86 1.70 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.05 5.21 0.00 2.00 1.86 0.00 3.05 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 82 F 9.59 5.06 0.00 3.21 2.90 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 83 L 9.36 5.24 0.00 1.77 1.65 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.09 5.62 0.00 3.18 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 85 A 9.36 5.50 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 86 I 8.88 4.91 1.96 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 1.42 0.78 1.04 0.00 0.00 87 E 9.06 5.12 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 2.39 2.37 0.00 88 L 8.69 4.53 0.00 1.49 1.68 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.92 4.07 0.00 1.92 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 0.00 2.31 2.24 0.00 90 Q 7.31 4.42 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 91 I 8.21 2.92 0.56 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.14 0.34 0.00 0.00 92 C 8.02 4.80 0.00 3.08 2.92 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 93 P 0.00 4.50 0.00 2.09 2.04 0.00 3.64 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 2.07 0.00 94 T 7.78 4.87 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 1.27 0.00 0.00 95 Q 9.01 4.33 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.01 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 96 P 0.00 4.06 0.00 1.97 2.09 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 97 H 7.51 4.75 0.00 2.35 3.03 0.00 5.69 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.82 4.24 0.00 2.85 2.44 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 99 S 8.79 4.07 0.00 3.91 3.92 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 0.00 100 D 7.48 4.46 0.00 2.90 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 0.00 101 I 7.54 4.06 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 0.90 0.00 0.00 102 D 9.18 4.45 0.00 2.65 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 0.00 103 C 7.06 4.94 0.00 2.98 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 0.00 104 C 8.36 5.12 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 4.57 0.00 1.46 1.77 0.00 2.44 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.00 106 W 8.69 5.24 0.00 3.09 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 0.00 107 V 9.00 4.75 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 0.86 0.00 0.00 0.97 0.00 0.00 108 S 10.22 4.86 0.00 4.14 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 0.00 109 A 8.97 3.78 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 0.00 110 E 8.29 3.90 0.00 2.20 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 0.00 2.42 2.40 0.00 111 E 7.86 4.03 0.00 2.23 2.31 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 2.46 2.45 0.00 112 I 7.92 3.99 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 0.89 0.00 0.00 113 L 7.99 3.37 0.00 1.74 1.75 0.84 1.02 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 0.00 114 Q 8.13 4.27 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 115 A 8.11 3.99 1.23 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 0.00 0.00 116 S 8.24 4.58 0.00 3.71 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 0.00 117 N 7.17 4.93 0.00 2.52 2.64 0.00 0.00 6.27 6.67 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 0.00 118 L 7.75 4.62 0.00 1.49 1.59 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.62 4.25 0.00 1.88 1.97 0.00 3.33 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 120 S 7.63 4.64 0.00 3.87 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 0.00 121 P 0.00 4.32 0.00 1.99 2.03 0.00 3.26 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 122 L 7.54 3.73 0.00 1.18 1.32 -0.21 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.30 3.79 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 1.10 0.00 0.00 0.92 0.00 0.00 124 A 7.87 4.04 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.72 3.79 0.00 1.86 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 1.99 2.21 0.00 126 S 8.07 4.08 0.00 4.03 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 0.00 127 I 7.69 3.61 1.79 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.38 0.54 0.00 0.00 128 R 7.83 3.93 0.00 1.92 1.94 0.00 3.09 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 129 C 7.99 4.07 0.00 3.13 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 0.00 130 Y 8.50 4.13 0.00 3.14 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 0.00 131 Q 8.51 4.04 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 132 S 8.30 4.22 0.00 3.91 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 0.00 133 G 7.62 3.67 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 0.00 0.00 0.00 134 Q 7.39 3.78 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 135 R 7.76 4.54 0.00 1.46 1.70 0.00 3.32 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 136 Y 8.43 5.17 0.00 3.22 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 P 0.00 4.74 0.00 2.18 2.07 0.00 3.85 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 138 L 9.18 4.13 0.00 1.75 1.84 0.97 1.34 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 0.00 139 E 8.18 4.21 0.00 2.01 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 2.42 2.34 0.00 140 M 7.96 4.39 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 141 I 7.36 4.45 1.57 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.48 0.59 0.00 0.00 142 G 8.07 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 0.00 143 D 8.01 4.61 0.00 2.71 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 0.00 0.00 0.00 0.00 144 F 8.45 4.76 0.00 2.98 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 0.00 145 N 8.04 3.88 0.00 2.75 2.66 0.00 0.00 7.01 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 0.00 146 W 8.14 4.31 0.00 3.37 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 0.00 147 P 0.00 4.28 0.00 1.22 1.58 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.18 0.00 148 F 6.71 5.08 0.00 3.09 2.92 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 0.00 149 T 8.61 4.17 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 150 K 9.13 4.88 0.00 1.74 1.78 0.00 2.02 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.64 7.81 151 G 7.20 4.06 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 0.00 0.00 0.00 152 V 7.49 4.38 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 0.72 0.00 0.00 0.93 0.00 0.00 153 I 8.34 3.54 1.87 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 1.27 0.28 0.91 0.00 0.00