NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5284 8.1627 120.3617 55.9358 34.5400 177.2679 2 M 3.9931 8.0254 117.5430 57.8742 32.2977 176.3485 3 D 4.3810 8.3414 118.0705 57.3098 41.9719 177.0107 4 Y 4.1240 7.9474 119.5952 60.7613 38.9843 177.7498 5 L 3.7412 8.3949 120.2874 57.7427 41.1867 179.3970 6 I 3.6861 7.8448 119.8782 64.7805 36.9855 178.3354 7 T 4.2000 7.9368 108.0169 63.1863 68.8789 174.9555 8 Q 4.3520 7.3606 119.5249 54.7534 29.6510 175.3969 9 N 4.1114 7.4585 113.1279 54.4287 36.7158 174.2709 10 G 4.0092 8.3222 101.0210 45.7944 0.0000 176.0544 11 G 3.8592 7.7689 109.0439 47.3596 0.0000 175.4148 12 M 3.9184 8.2387 120.1532 59.1249 31.9592 178.4707 13 V 3.5173 7.5332 111.5931 64.6263 31.5952 178.6406 14 F 4.3299 7.9754 117.0393 60.2982 38.7567 177.7424 15 A 4.0630 8.0350 120.3038 54.9079 18.2207 179.6579 16 V 3.5126 8.1779 117.2886 66.1561 31.5762 178.0160 17 L 3.9920 8.1988 119.9207 57.9678 41.8624 178.6933 18 A 4.2663 8.2346 122.3883 54.9380 18.3632 179.5092 19 M 4.0108 8.1531 116.8226 58.4508 32.0628 178.8061 20 A 4.0085 8.1920 121.1407 55.2899 18.4415 179.7200 21 T 3.9736 8.3813 108.3502 65.1276 68.3783 176.2409 22 A 4.1018 8.1653 124.3606 55.0264 18.3441 179.8322 23 T 3.7902 7.9748 113.8568 66.8784 68.5960 177.0331 24 I 3.5111 8.0986 121.8577 64.6003 37.1498 178.6765 25 F 4.0866 7.7714 118.1630 60.3402 38.7236 178.0914 26 S 4.2995 7.8301 113.9294 61.3619 62.8077 176.7268 27 G 3.6047 8.2549 109.4464 47.5779 0.0000 175.6766 28 I 3.7513 8.1560 122.8952 63.8786 37.0283 178.5307 29 G 3.7245 8.0387 106.5362 48.1465 0.0000 175.8684 30 S 4.4667 8.4191 119.0142 60.5117 62.7770 176.4517 31 A 3.9535 8.4688 123.7717 55.2544 18.0434 179.9040 32 K 3.9974 8.4550 117.3047 59.4769 32.1553 179.9660 33 G 3.5458 8.3253 106.2382 47.9085 0.0000 175.9764 34 V 3.7130 8.5351 121.9164 65.2738 31.4636 178.2539 35 G 3.5871 8.3393 105.7926 48.0337 0.0000 175.1989 36 M 4.1589 8.3243 121.7339 58.6275 32.2885 178.4296 37 T 3.9855 8.0343 115.9180 66.4834 68.6138 176.7102 38 G 3.7370 8.4410 108.0728 47.9651 0.0000 175.4154 39 E 3.9596 8.3794 120.7852 59.1235 29.5414 179.3689 40 A 3.9923 7.9494 120.1903 55.0879 18.4600 179.5190 41 A 3.9512 8.6232 119.4112 55.2214 18.3373 179.6979 42 A 3.9662 8.5947 119.4408 55.1971 18.2457 179.5989 43 A 3.9624 7.8623 118.0811 55.3538 18.7279 179.1995 44 L 4.0566 8.0265 118.7128 58.7928 41.4613 179.4062 45 T 4.0358 8.1044 115.6720 66.4940 68.1002 176.6171 46 T 4.0804 7.6620 111.3675 63.7171 68.7543 175.1382 47 S 4.6320 7.5454 115.0749 58.5948 65.6090 174.3438 48 Q 4.7110 8.3071 119.9432 53.0569 28.6285 174.0741 49 P 4.4321 0.0000 0.0000 64.8811 32.0711 179.0964 50 E 4.1624 8.1540 115.9048 58.1481 29.9721 177.2701 51 K 4.5866 7.9527 118.9613 56.5312 32.5448 177.8924 52 F 4.3136 8.3039 123.3251 61.5983 39.1763 177.2901 53 G 3.5246 8.2012 104.4401 48.0979 0.0000 175.3490 54 Q 3.9382 7.9792 120.0034 58.4357 28.8117 178.4999 55 A 3.9599 7.9968 121.8358 54.9483 18.4483 179.4316 56 L 3.6812 7.9020 119.2188 58.1662 41.8674 179.1492 57 I 3.6002 7.2287 118.4530 64.4906 36.9006 177.9393 58 L 4.0978 7.7054 119.3518 58.0020 41.2366 179.5054 59 Q 3.9898 7.8309 118.2122 58.9690 29.1309 177.9355 60 L 4.0982 7.7678 119.9566 57.0010 41.0672 179.0043 61 L 3.9253 7.5103 118.7177 57.6116 41.6938 177.4751 62 P 5.0435 0.0000 0.0000 63.2583 30.8165 177.9858 63 G 3.7564 8.2319 106.2767 46.3420 0.0000 175.9702 64 T 3.7095 7.4466 111.7808 64.3667 68.7794 176.4707 65 Q 4.1949 8.1026 120.7301 59.2094 28.8039 179.5643 66 G 3.6630 8.3165 106.4116 47.5992 0.0000 175.7873 67 L 4.0227 7.1057 118.0695 57.7700 41.5132 178.9415 68 Y 4.3544 7.6889 116.8695 61.1479 37.7615 179.0086 69 G 4.3134 8.2913 107.8785 47.3353 0.0000 175.3663 70 F 4.1757 8.5027 123.3349 60.9961 39.3812 177.2579 71 V 3.7429 8.4035 117.9884 66.2551 31.3412 177.9444 72 I 3.8057 8.4773 119.4692 64.4008 36.8937 178.1590 73 A 3.9805 8.3974 121.8855 55.3300 18.2478 179.5431 74 F 3.9033 8.3390 119.3499 61.1040 39.1568 177.1679 75 L 3.9586 8.0988 119.6218 57.9543 42.1384 178.6440 76 I 3.6001 7.8819 119.9061 64.2271 36.9244 177.8375 77 F 3.9637 8.1599 121.8624 61.3891 38.9523 176.9180 78 I 3.5973 7.2624 109.3848 62.2146 37.5354 176.5333 79 N 4.7846 7.3297 117.5140 54.7427 39.3676 176.6496 80 L 4.0752 7.1659 123.7137 54.7727 42.0670 174.9132 81 G 3.8205 8.2545 107.4690 44.7087 0.0000 173.6906 82 S 4.3371 8.2754 117.3648 58.9710 63.7049 174.1163 83 D 4.5797 7.8410 119.7692 54.5465 41.4936 175.4207 84 M 4.1919 7.7435 119.2961 55.8151 32.9332 175.8819 85 S 4.6648 8.4424 120.9603 57.6785 65.8253 175.4350 86 V 3.6942 8.2275 121.6330 66.0130 31.2283 178.0919 87 V 3.4810 7.7905 117.6026 66.1547 31.3433 177.6384 88 Q 3.9015 7.9910 118.6761 59.0353 28.9379 178.2064 89 G 4.0092 8.4845 107.0694 48.1962 0.0000 175.5962 90 L 3.9548 8.3573 122.0380 57.3309 41.4784 179.3203 91 N 4.2299 8.2246 116.6430 56.3518 38.4588 177.4022 92 F 4.2786 8.1535 119.0735 60.4169 38.7821 177.4220 93 L 4.1816 8.0738 119.0927 58.1430 42.2955 178.9446 94 G 3.7681 8.4989 105.7474 47.9113 0.0000 175.3310 95 A 4.0864 8.4580 124.2191 54.9517 18.3186 179.7258 96 S 4.2661 8.2945 112.2608 60.8925 63.2196 176.7521 97 L 4.1659 7.9417 123.0632 57.3698 41.4317 177.1978 98 P 4.3642 0.0000 0.0000 66.0081 31.3609 178.4967 99 I 3.8701 8.1278 116.8763 63.7774 37.8805 177.5667 100 A 3.9765 8.0737 121.8218 55.2973 18.2059 179.3172 101 F 4.5890 8.3524 115.6018 59.8577 39.6976 178.6483 102 T 4.2556 8.4380 109.9071 64.5994 68.5496 176.8124 103 G 3.7657 8.4046 108.6151 47.6041 0.0000 175.0578 104 L 4.0177 7.9443 123.3800 58.0557 42.0070 179.2183 105 F 4.2235 8.4612 117.6972 60.4255 38.8913 178.1274 106 S 4.3743 8.8949 114.6596 61.2240 62.8267 176.5933 107 G 3.7869 8.3388 109.4136 47.7558 0.0000 175.5253 108 I 3.7040 7.6273 121.9671 63.9553 37.2092 178.3932 109 A 4.0495 8.3388 121.7346 55.3280 18.3516 179.4811 110 Q 4.0938 9.0021 118.9041 59.1804 29.0846 178.5110 111 G 3.7106 8.3085 106.8810 47.8172 0.0000 175.7369 112 K 4.0034 8.0214 120.6542 59.2291 32.0033 179.6836 113 V 3.6020 7.7546 117.8128 65.8058 31.5529 177.9014 114 A 3.9808 8.5371 120.7756 55.1679 18.0350 179.2858 115 A 3.9495 8.2105 118.1928 55.4789 18.8119 179.4253 116 A 4.1872 8.2400 119.2585 55.2151 18.4358 180.0661 117 G 3.6919 8.3897 104.5059 47.9828 0.0000 175.7593 118 I 3.7659 7.5949 121.5161 64.6487 37.1737 178.3733 119 Q 4.0468 8.1557 118.4399 58.4962 28.4211 178.6725 120 I 3.7267 7.6438 120.7585 64.3028 37.0495 177.7633 121 L 3.8521 7.8063 119.5691 58.2483 41.9054 178.6185 122 A 4.1393 8.0392 119.7535 54.6748 18.4068 178.8843 123 K 4.3901 7.8433 114.7912 56.9098 34.7381 177.4665 124 K 4.7039 8.6247 118.1338 53.6018 32.6646 175.0115 125 P 4.4194 0.0000 0.0000 65.5160 31.7165 179.0340 126 E 4.1073 8.1755 115.0314 58.1991 29.9013 176.8366 127 H 4.8025 8.4819 117.1368 55.5994 29.5512 175.9746 128 A 4.0498 7.8339 125.1430 55.7156 17.8771 180.6103 129 T 3.8086 7.9363 113.7427 66.6991 68.4062 176.5378 130 K 3.7042 8.0845 120.5475 59.3462 32.0920 179.4465 131 G 3.7847 8.0559 105.3373 47.8946 0.0000 175.5322 132 I 3.7083 7.5923 121.6895 64.1875 37.2094 178.5879 133 I 3.6312 7.8129 120.7037 64.3370 36.6894 178.2642 134 F 4.4630 7.6628 117.1661 60.9108 39.2323 177.4098 135 A 4.2085 8.2126 119.8511 55.1270 18.2037 179.4600 136 A 4.0164 8.5642 119.6693 55.6342 18.1306 179.7078 137 M 4.0955 8.1407 117.0971 58.5594 32.0060 179.0445 138 V 3.7802 7.9571 118.1139 65.5533 31.6718 177.3725 139 E 3.9980 8.2173 119.5058 59.7013 29.2784 178.7393 140 T 3.6232 7.2067 115.1869 67.1601 68.4431 175.6593 141 Y 4.3317 7.3850 117.0437 60.3021 37.9849 177.9699 142 A 4.1550 8.0679 121.7395 55.1350 18.6174 179.5323 143 I 3.3189 7.7393 118.3192 64.4049 37.1965 178.6172 144 L 4.1036 8.3552 120.3712 57.7322 41.4777 179.7727 145 G 4.1398 8.0969 106.9317 47.2604 0.0000 175.4146 146 F 4.2257 8.6750 123.6782 60.9643 39.3299 177.3376 147 V 3.4129 8.2388 118.2114 65.9961 31.2965 178.0385 148 I 3.6964 7.7915 119.4312 64.5338 36.9098 178.4690 149 S 4.3959 8.0516 117.2554 60.8973 62.6524 176.4863 150 F 3.7693 8.3141 123.4874 61.3150 38.9637 177.0611 151 L 4.0161 8.1652 118.5054 58.0019 41.2306 179.6958 152 L 3.9512 7.8624 117.7203 57.5041 41.6488 179.4913 153 V 3.7572 7.9294 118.4698 66.0830 31.3402 178.2133 154 L 3.9516 7.5097 117.0759 56.6838 41.4466 177.8890 155 N 4.6872 7.2541 114.2165 53.0480 39.4173 174.7467 156 A 3.9320 7.1777 126.1988 53.0886 18.4222 177.1002 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 8.16 4.53 0.00 2.17 2.14 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 2.66 2.66 0.00 2 M 8.03 3.99 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.34 4.38 0.00 2.80 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 4 Y 7.95 4.12 0.00 3.09 3.15 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 5 L 8.39 3.74 0.00 1.81 1.77 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.84 3.69 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.92 0.00 0.00 7 T 7.94 4.20 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 1.26 0.00 0.00 8 Q 7.36 4.35 0.00 1.56 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 9 N 7.46 4.11 0.00 2.78 2.93 0.00 0.00 6.78 7.53 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 10 G 8.32 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 11 G 7.77 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 12 M 8.24 3.92 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 13 V 7.53 3.52 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 0.65 0.00 0.00 0.16 0.00 0.00 14 F 7.98 4.33 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 15 A 8.03 4.06 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 0.00 0.00 16 V 8.18 3.51 2.21 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 0.99 0.00 0.00 0.94 0.00 0.00 17 L 8.20 3.99 0.00 1.97 1.97 1.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.23 4.27 1.61 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 19 M 8.15 4.01 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.72 0.00 20 A 8.19 4.01 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 21 T 8.38 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 1.47 0.00 0.00 22 A 8.17 4.10 1.48 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 0.00 0.00 23 T 7.97 3.79 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 1.30 0.00 0.00 24 I 8.10 3.51 1.49 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 1.35 0.60 0.22 0.00 0.00 25 F 7.77 4.09 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.30 0.00 4.13 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 0.00 27 G 8.25 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 0.00 0.00 0.00 28 I 8.16 3.75 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.88 0.00 0.00 29 G 8.04 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 30 S 8.42 4.47 0.00 3.97 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 31 A 8.47 3.95 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 32 K 8.45 4.00 0.00 1.87 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 33 G 8.33 3.55 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 0.00 0.00 0.00 34 V 8.54 3.71 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 1.05 0.00 0.00 0.99 0.00 0.00 35 G 8.34 3.59 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 0.00 0.00 0.00 36 M 8.32 4.16 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.03 3.99 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 1.25 0.00 0.00 38 G 8.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 3.96 0.00 2.21 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 2.33 2.55 0.00 40 A 7.95 3.99 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 41 A 8.62 3.95 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 42 A 8.59 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.96 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 44 L 8.03 4.06 0.00 1.80 1.88 0.94 0.69 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 45 T 8.10 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 1.22 0.00 0.00 46 T 7.66 4.08 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 1.31 0.00 0.00 47 S 7.55 4.63 0.00 4.15 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 48 Q 8.31 4.71 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.43 0.00 2.19 2.29 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.15 4.16 0.00 2.12 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 0.00 2.30 2.29 0.00 51 K 7.95 4.59 0.00 2.03 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.39 7.81 52 F 8.30 4.31 0.00 3.20 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 G 8.20 3.52 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 0.00 0.00 0.00 54 Q 7.98 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 8.00 3.96 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 56 L 7.90 3.68 0.00 1.15 1.49 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.23 3.60 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.86 0.00 0.00 58 L 7.71 4.10 0.00 1.88 1.71 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.83 3.99 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 60 L 7.77 4.10 0.00 1.86 1.63 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.51 3.93 0.00 1.94 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.04 0.00 2.18 2.25 0.00 4.01 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 63 G 8.23 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 0.00 0.00 0.00 64 T 7.45 3.71 3.55 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 1.05 0.00 0.00 65 Q 8.10 4.19 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 66 G 8.32 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 0.00 0.00 0.00 67 L 7.11 4.02 0.00 1.57 1.58 0.74 0.62 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 68 Y 7.69 4.35 0.00 3.27 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 69 G 8.29 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 0.00 0.00 0.00 0.00 70 F 8.50 4.18 0.00 3.26 3.29 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 71 V 8.40 3.74 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 1.50 0.00 0.00 1.22 0.00 0.00 72 I 8.48 3.81 2.19 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.84 1.00 0.00 0.00 73 A 8.40 3.98 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 74 F 8.34 3.90 0.00 2.74 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 75 L 8.10 3.96 0.00 1.90 1.83 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.88 3.60 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.31 0.00 0.00 77 F 8.16 3.96 0.00 2.96 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 78 I 7.26 3.60 1.68 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 1.58 0.56 0.45 0.00 0.00 79 N 7.33 4.78 0.00 2.84 2.97 0.00 0.00 6.98 7.37 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 80 L 7.17 4.08 0.00 1.35 1.30 0.56 0.67 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 81 G 8.25 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.28 4.34 0.00 3.96 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 83 D 7.84 4.58 0.00 2.64 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 84 M 7.74 4.19 0.00 2.13 2.11 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 3.01 2.64 0.00 85 S 8.44 4.66 0.00 4.09 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 86 V 8.23 3.69 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 1.11 0.00 0.00 87 V 7.79 3.48 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 0.99 0.00 0.00 0.89 0.00 0.00 88 Q 7.99 3.90 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 89 G 8.48 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 90 L 8.36 3.95 0.00 1.67 1.57 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.22 4.23 0.00 2.65 2.60 0.00 0.00 6.99 7.93 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 92 F 8.15 4.28 0.00 3.43 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 93 L 8.07 4.18 0.00 1.81 1.96 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.50 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 95 A 8.46 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.29 4.27 0.00 4.26 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 0.00 97 L 7.94 4.17 0.00 1.95 1.97 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.34 2.19 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.13 3.87 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.46 1.11 0.00 0.00 100 A 8.07 3.98 1.21 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 0.00 0.00 101 F 8.35 4.59 0.00 3.28 3.31 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 0.00 102 T 8.44 4.26 4.57 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 1.41 0.00 0.00 103 G 8.40 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 0.00 104 L 7.94 4.02 0.00 2.01 1.85 0.90 1.02 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 0.00 105 F 8.46 4.22 0.00 3.32 3.17 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 0.00 0.00 0.00 0.00 106 S 8.89 4.37 0.00 4.21 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 0.00 107 G 8.34 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.70 2.03 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 1.44 1.10 0.94 0.00 0.00 109 A 8.34 4.05 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 0.00 110 Q 9.00 4.09 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 111 G 8.31 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 0.00 0.00 0.00 112 K 8.02 4.00 0.00 2.08 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 113 V 7.75 3.60 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 1.20 0.00 0.00 1.05 0.00 0.00 114 A 8.54 3.98 1.42 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 0.00 0.00 0.00 115 A 8.21 3.95 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 0.00 116 A 8.24 4.19 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 0.00 117 G 8.39 3.69 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 0.00 0.00 0.00 118 I 7.59 3.77 2.07 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 1.72 0.84 0.96 0.00 0.00 119 Q 8.16 4.05 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 120 I 7.64 3.73 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 1.01 0.00 0.00 121 L 7.81 3.85 0.00 1.77 1.91 0.92 0.94 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 0.00 122 A 8.04 4.14 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 0.00 123 K 7.84 4.39 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 124 K 8.62 4.70 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.52 7.81 125 P 0.00 4.42 0.00 2.22 2.43 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.18 4.11 0.00 2.02 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 2.00 2.18 0.00 127 H 8.48 4.80 0.00 3.30 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.83 4.05 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 T 7.94 3.81 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 1.16 0.00 0.00 130 K 8.08 3.70 0.00 1.94 1.58 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 131 G 8.06 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 0.00 132 I 7.59 3.71 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 0.88 0.00 0.00 133 I 7.81 3.63 1.69 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 1.44 1.02 0.79 0.00 0.00 134 F 7.66 4.46 0.00 3.21 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 0.00 135 A 8.21 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.56 4.02 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 0.00 137 M 8.14 4.10 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.01 0.00 138 V 7.96 3.78 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 1.21 0.00 0.00 1.04 0.00 0.00 139 E 8.22 4.00 0.00 2.18 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 0.00 2.36 2.48 0.00 140 T 7.21 3.62 2.77 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 0.76 0.00 0.00 141 Y 7.39 4.33 0.00 3.28 3.15 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 0.00 142 A 8.07 4.15 1.61 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 0.00 143 I 7.74 3.32 1.90 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 1.28 0.47 0.83 0.00 0.00 144 L 8.36 4.10 0.00 1.71 1.77 0.99 0.78 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 0.00 145 G 8.10 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 0.00 0.00 0.00 146 F 8.67 4.23 0.00 2.81 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 0.00 147 V 8.24 3.41 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 1.03 0.00 0.00 0.96 0.00 0.00 148 I 7.79 3.70 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.72 0.93 0.00 0.00 149 S 8.05 4.40 0.00 4.11 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 0.00 150 F 8.31 3.77 0.00 2.58 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 0.00 151 L 8.17 4.02 0.00 1.89 1.72 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.86 3.95 0.00 1.79 1.69 0.92 0.74 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 0.00 153 V 7.93 3.76 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 1.10 0.00 0.00 1.07 0.00 0.00 154 L 7.51 3.95 0.00 1.69 1.62 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.25 4.69 0.00 2.64 2.70 0.00 0.00 7.14 8.15 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 0.00 156 A 7.18 3.93 0.13 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 0.00 0.00