NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3909 8.3044 120.3495 54.8735 33.4228 174.9990 2 I 3.6949 8.2968 125.9910 61.0311 38.8873 173.3130 3 Q 4.8299 8.2953 124.0362 54.1896 33.8182 173.7139 4 S 5.1650 8.6158 116.1386 56.8343 66.3406 173.2285 5 Q 4.7751 8.9212 120.8529 54.8036 30.2278 175.6963 6 I 4.4429 8.3704 111.2536 59.9693 39.0429 174.7148 7 N 4.8835 7.8671 120.1094 51.0243 40.7965 174.7464 8 R 3.9633 8.6090 123.7167 59.3051 29.3885 178.3542 9 N 4.3993 8.7363 117.5455 55.9413 38.4492 177.3760 10 I 3.6838 7.4396 121.3008 64.6190 37.1990 178.7023 11 R 4.0364 7.8999 118.1048 58.8614 29.9474 178.9389 12 L 4.0173 8.0338 119.2367 57.5757 41.6288 178.9758 13 D 4.3474 8.3180 119.1407 57.2990 40.6918 178.5740 14 L 3.9154 7.9039 120.3770 58.0124 42.0028 178.6202 15 A 4.1160 8.2670 121.0126 55.5415 18.3051 179.2961 16 D 4.3059 8.1343 116.9062 57.5379 40.9111 178.9792 17 A 4.0206 7.9923 121.1466 55.1440 18.3846 179.7357 18 I 3.6634 8.1006 118.6350 64.6312 37.2105 178.7057 19 L 4.1103 8.3228 120.1794 57.4562 41.2872 179.4141 20 L 3.8941 8.0027 120.3501 58.1477 42.0666 178.6527 21 S 4.0388 8.0425 113.0852 61.4409 62.2815 175.8290 22 K 3.7030 8.4832 122.1318 59.7678 31.9571 178.4702 23 A 3.9758 8.0994 120.7017 55.0483 18.0530 179.7430 24 K 3.9509 8.1771 116.5235 59.1684 32.2325 178.8468 25 K 4.1950 8.1014 115.9414 55.4111 32.7590 175.9293 26 D 4.3006 7.5697 117.5934 55.0510 40.1453 173.1659 27 L 4.6627 7.6684 116.2848 53.5697 43.6214 177.3168 28 S 4.6388 8.3527 116.0175 56.8271 66.4851 175.5152 29 F 4.1874 8.3545 121.0990 60.4616 38.6215 177.7384 30 A 4.0670 8.1361 120.3795 55.3058 18.0658 179.3733 31 E 4.0014 8.0610 114.5236 59.2530 29.8506 178.9900 32 I 3.8317 7.5714 120.1116 64.3190 37.4953 177.9102 33 A 4.2081 8.2060 121.6424 53.6784 18.1672 177.3403 34 D 4.4495 7.5896 116.6694 56.4139 41.4483 176.9691 35 G 4.0308 9.0816 115.0192 45.5703 0.0000 173.9652 36 T 4.0513 7.8067 108.7237 62.1164 69.2988 176.2235 37 G 3.9463 8.3364 109.4016 45.3094 0.0000 172.9508 38 L 4.6826 7.4365 118.6840 52.3118 44.3431 176.8972 39 A 4.1830 8.2334 123.0334 51.8683 20.3031 178.3722 40 E 3.9008 8.9506 123.0599 59.6690 29.6627 179.5269 41 A 3.9266 7.9476 120.1072 54.8850 18.5237 179.2924 42 F 3.9541 8.1408 118.7299 61.4070 39.6585 177.3905 43 V 3.6294 8.0934 117.9075 66.2955 31.3526 177.9804 44 T 3.7876 8.0767 115.2824 66.6918 68.3049 176.3119 45 A 3.8392 7.8574 122.2513 54.9723 18.2429 179.5411 46 A 4.0575 7.5836 120.3667 54.8807 18.2768 179.6810 47 L 3.9595 7.7097 116.0115 57.8095 41.7769 178.9288 48 L 4.4772 7.5364 115.9157 54.4924 41.7497 177.5165 49 G 3.9364 8.1937 107.5098 45.4925 0.0000 174.2782 50 Q 4.5138 8.3404 116.2580 55.4529 29.8445 174.9778 51 Q 4.4042 7.4086 116.0659 54.2627 32.9982 172.7144 52 A 4.8825 8.2632 120.7441 50.3869 20.8628 176.6411 53 L 4.5249 8.7938 123.0019 53.4567 43.3350 175.2331 54 P 4.3921 0.0000 0.0000 62.6274 32.4097 177.1584 55 A 3.9888 8.9139 123.5312 55.8365 18.1553 180.0215 56 D 4.2782 8.1048 116.4239 57.4393 40.9008 178.7559 57 A 4.0067 8.0092 120.6326 55.0323 18.3905 179.3507 58 A 3.9785 8.2416 119.3987 55.3706 18.3700 180.1154 59 R 3.8726 8.2804 116.7549 59.2414 30.2678 179.1838 60 L 3.9808 8.2369 119.0976 58.1795 41.7727 180.2019 61 V 3.8306 8.3235 112.6668 64.1432 31.4077 178.9567 62 G 3.6221 8.5306 105.9123 47.5169 0.0000 175.7276 63 A 4.0105 8.3255 123.3143 55.0804 18.2276 179.9333 64 K 3.9719 7.8342 115.4121 58.7781 32.1752 178.5831 65 L 4.4136 7.6405 116.0973 53.0799 42.8144 175.6478 66 D 4.3300 7.5571 117.2709 55.0846 40.0210 173.4026 67 L 4.4018 8.1022 118.0469 53.8502 43.2376 177.8097 68 D 4.6978 8.2723 121.9109 52.7433 41.8440 177.3302 69 E 3.9513 8.5739 118.5667 59.7385 29.4044 179.3675 70 D 4.3650 8.0491 118.4103 57.3689 40.9061 178.9059 71 S 4.1376 8.7182 116.0685 61.6402 62.6356 176.6920 72 I 3.7100 7.7179 121.4840 64.2477 37.1315 177.9668 73 L 4.2438 8.1452 121.2103 58.2085 41.9898 178.8709 74 L 4.0138 8.4438 119.2922 57.9567 41.4789 179.5410 75 L 4.0888 8.0285 118.4646 57.2273 41.2933 178.6730 76 Q 4.5821 7.6634 117.3839 55.4028 29.4467 175.9229 77 M 4.5095 7.2804 120.2481 54.9079 33.1166 176.3904 78 I 4.0341 8.7963 124.5580 60.7030 38.1174 174.2726 79 P 4.6576 0.0000 0.0000 62.4158 32.6782 176.2708 80 L 4.3259 8.3112 123.4588 54.1451 41.6510 176.5846 81 R 4.1976 8.3225 125.2345 55.7274 30.9019 175.1640 82 G 3.0119 8.2949 107.2342 45.1079 0.0000 173.3786 83 C 4.2913 8.0805 121.9540 58.7936 30.7006 174.4088 84 I 4.1170 7.4450 122.0964 60.2411 37.6752 174.9809 85 D 4.4640 8.8531 125.5085 57.1559 41.5562 176.5380 86 D 4.6344 7.3881 115.7570 53.3002 41.6733 173.6172 87 R 4.2287 8.2213 126.9485 56.3972 29.0848 176.8644 88 I 3.9992 7.1709 116.4229 58.2716 38.9109 173.9871 89 P 4.4074 0.0000 0.0000 63.0563 31.7392 176.5295 90 T 4.1749 8.3439 111.3630 63.1401 69.9490 175.1961 91 D 4.5509 7.9708 122.4757 53.0234 42.7610 174.4508 92 P 4.3524 0.0000 0.0000 66.2825 31.1981 178.8341 93 T 3.9552 7.9804 112.5673 67.0769 68.6791 176.2693 94 M 4.4930 8.2208 120.7625 58.3533 32.0172 178.4821 95 F 4.1132 9.0289 121.2398 61.4747 39.5164 177.3041 96 R 4.0045 8.1225 117.4480 59.2833 29.2402 179.0399 97 F 4.0955 7.7709 117.7050 60.5594 38.8975 177.0472 98 Y 3.9853 7.8341 118.7693 60.6312 38.6011 177.5717 99 E 3.6444 8.1403 120.5502 59.3103 29.5895 178.6313 100 M 4.1209 7.9675 118.8688 58.3592 31.8687 178.7248 101 L 3.9856 7.3920 118.1754 57.7642 41.5431 179.4878 102 Q 3.7743 7.4331 117.1866 58.3963 28.5828 178.6446 103 V 3.6487 7.6354 118.5565 65.2869 32.1483 176.8889 104 Y 4.6402 8.1348 114.1780 57.4663 38.5254 177.6962 105 G 3.7385 8.2852 109.2102 48.2834 0.0000 176.0326 106 T 4.0090 7.8311 111.7527 64.5185 68.8562 176.8267 107 T 3.8801 7.8835 118.1671 66.4304 68.5783 176.1082 108 L 3.9865 8.4002 121.3469 57.8056 41.6445 179.5090 109 K 3.7878 8.1065 118.8929 59.4855 32.1440 178.4587 110 A 4.0325 8.2237 121.1367 55.4660 18.2761 179.6777 111 L 4.0063 8.3293 117.6674 57.4648 41.6233 179.7548 112 V 3.8017 7.9721 118.4767 66.5806 31.3118 177.8503 113 H 5.0543 8.2241 117.2054 58.3452 28.2961 177.4243 114 E 3.9632 8.1881 120.2068 59.4148 29.6032 178.8193 115 K 3.9199 8.2749 117.4553 58.2763 32.1320 177.5623 116 F 4.0292 8.9965 115.4273 59.6939 40.9044 175.3591 117 G 4.0306 7.0422 104.7848 44.4485 0.0000 172.0441 118 D 4.7322 8.6053 119.4548 54.5340 42.2660 176.1872 119 G 4.0711 7.8936 111.5948 45.4115 0.0000 172.0869 120 I 4.7928 8.2311 114.5995 59.3216 41.9270 174.5460 121 I 4.6554 8.1006 123.4804 59.8589 37.8723 176.0172 122 S 4.2200 9.1219 123.1875 58.5445 62.6941 173.8935 123 A 3.8322 8.5578 127.6470 52.2271 19.3047 177.3031 124 I 4.2422 7.8178 116.1072 63.1804 38.7984 177.0892 125 N 4.7809 7.7785 123.0439 52.2128 37.5690 172.1896 126 F 5.4390 8.1085 122.5767 56.7153 42.8685 172.4823 127 K 4.5471 7.6700 122.9086 55.2623 36.1464 174.6726 128 L 5.6781 8.2512 120.3709 53.2730 43.9508 174.9152 129 D 4.7655 8.2835 117.5941 52.2213 43.0445 173.8039 130 V 4.8712 8.3112 119.3182 61.1419 33.9734 174.7229 131 K 4.7196 9.0358 126.7422 54.4229 35.8707 174.8898 132 K 4.8583 8.6364 125.0782 55.2870 33.6248 175.7536 133 V 4.5901 8.8847 126.5861 60.6666 35.1703 174.3751 134 A 4.3681 8.6937 129.1154 52.0706 19.3714 176.3338 135 D 4.5782 9.0316 122.4497 52.4962 41.9120 175.6166 136 P 4.4844 0.0000 0.0000 65.6221 31.4374 176.9774 137 E 4.1932 8.7921 115.7309 56.0116 29.7371 176.7903 138 G 3.9925 8.6463 108.4839 46.0688 0.0000 175.4694 139 G 3.8225 9.1420 108.8434 43.9846 0.0000 171.6612 140 E 5.2232 8.3331 116.5550 54.7009 33.6202 175.5296 141 R 4.8253 9.2638 119.4642 54.4686 34.6187 174.1600 142 A 5.0748 8.5861 122.8853 50.5653 21.0932 176.6586 143 V 4.2200 9.1384 122.8058 61.4096 33.4665 174.3632 144 I 4.8389 8.4122 129.2719 60.0343 39.0297 175.3140 145 T 4.4982 8.6633 124.4141 61.9062 70.3844 173.4793 146 L 4.6962 8.5129 127.0851 53.4172 43.4777 175.9833 147 D 4.6209 8.4772 123.3170 52.4072 43.5069 174.1208 148 G 4.7297 8.5156 111.8202 43.7680 0.0000 170.5241 149 K 4.3165 8.6953 124.2652 56.1585 33.8176 175.3097 150 Y 4.7506 8.6828 128.6639 57.4352 40.1925 173.6708 151 L 4.3676 8.2448 127.2213 51.9456 44.0536 174.3508 152 P 4.4643 0.0000 0.0000 62.8605 32.6690 175.9260 153 T 4.4804 8.7251 119.5092 62.4291 69.7034 174.2143 154 K 4.8270 8.5104 125.6029 53.4733 35.1844 174.5531 155 P 4.4188 0.0000 0.0000 62.8534 31.9778 176.6146 156 F 4.5427 7.7779 114.3834 57.2154 37.9691 174.5118 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 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 I 8.30 3.69 1.88 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 1.42 1.06 0.91 0.00 0.00 3 Q 8.30 4.83 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 4 S 8.62 5.17 0.00 3.81 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 5 Q 8.92 4.78 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 6 I 8.37 4.44 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 1.30 0.66 0.91 0.00 0.00 7 N 7.87 4.88 0.00 2.76 2.67 0.00 0.00 6.95 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 8 R 8.61 3.96 0.00 2.06 2.28 0.00 3.14 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.74 4.40 0.00 2.84 2.91 0.00 0.00 6.86 7.81 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 10 I 7.44 3.68 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 1.52 1.00 0.91 0.00 0.00 11 R 7.90 4.04 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.03 4.02 0.00 1.70 1.70 0.91 0.93 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 13 D 8.32 4.35 0.00 2.94 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 14 L 7.90 3.92 0.00 1.79 1.84 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.27 4.12 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 16 D 8.13 4.31 0.00 2.91 2.74 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 17 A 7.99 4.02 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 18 I 8.10 3.66 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.95 0.00 0.00 19 L 8.32 4.11 0.00 1.83 1.75 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.00 3.89 0.00 1.77 1.79 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.04 4.04 0.00 3.92 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 22 K 8.48 3.70 0.00 1.79 1.90 0.00 1.14 0.00 0.00 1.14 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.24 7.81 23 A 8.10 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.95 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 25 K 8.10 4.20 0.00 1.68 1.81 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 26 D 7.57 4.30 0.00 2.78 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 27 L 7.67 4.66 0.00 1.56 1.47 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.35 4.64 0.00 4.05 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 29 F 8.35 4.19 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.14 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.00 0.00 2.15 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 2.51 2.32 0.00 32 I 7.57 3.83 2.04 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.96 0.00 0.00 33 A 8.21 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.59 4.45 0.00 2.79 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 35 G 9.08 4.03 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 0.00 0.00 0.00 36 T 7.81 4.05 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 1.30 0.00 0.00 37 G 8.34 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 0.00 0.00 0.00 38 L 7.44 4.68 0.00 1.74 1.65 1.06 0.69 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 39 A 8.23 4.18 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 40 E 8.95 3.90 0.00 2.08 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 2.44 2.48 0.00 41 A 7.95 3.93 1.31 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 42 F 8.14 3.95 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.09 3.63 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 1.05 0.00 0.00 1.11 0.00 0.00 44 T 8.08 3.79 4.05 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 0.35 0.00 0.00 45 A 7.86 3.84 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 46 A 7.58 4.06 1.22 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 0.00 0.00 47 L 7.71 3.96 0.00 1.89 1.87 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.54 4.48 0.00 1.66 1.64 0.73 1.11 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 49 G 8.19 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 0.00 0.00 0.00 50 Q 8.34 4.51 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.41 4.40 0.00 1.41 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.02 1.47 0.00 52 A 8.26 4.88 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 53 L 8.79 4.52 0.00 1.65 1.66 0.95 1.29 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 54 P 0.00 4.39 0.00 2.10 1.99 0.00 3.73 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 55 A 8.91 3.99 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 56 D 8.10 4.28 0.00 2.71 2.74 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 57 A 8.01 4.01 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 58 A 8.24 3.98 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 59 R 8.28 3.87 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 60 L 8.24 3.98 0.00 1.87 1.73 0.96 0.86 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 61 V 8.32 3.83 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 1.03 0.00 0.00 62 G 8.53 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.33 4.01 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 64 K 7.83 3.97 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 65 L 7.64 4.41 0.00 1.72 1.68 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.56 4.33 0.00 2.74 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 67 L 8.10 4.40 0.00 1.64 1.57 0.93 0.90 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 68 D 8.27 4.70 0.00 2.95 2.82 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 69 E 8.57 3.95 0.00 2.00 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 2.40 2.35 0.00 70 D 8.05 4.37 0.00 2.72 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 71 S 8.72 4.14 0.00 4.04 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 72 I 7.72 3.71 1.88 0.00 0.00 nan 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 0.56 0.98 0.00 0.00 73 L 8.15 4.24 0.00 1.84 1.85 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.44 4.01 0.00 1.85 1.71 0.92 0.65 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 75 L 8.03 4.09 0.00 1.91 1.73 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.66 4.58 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 77 M 7.28 4.51 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 78 I 8.80 4.03 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.92 0.00 0.00 79 P 0.00 4.66 0.00 2.09 2.05 0.00 3.75 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 1.96 1.93 0.00 80 L 8.31 4.33 0.00 1.67 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.32 4.20 0.00 1.82 1.89 0.00 3.24 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 82 G 8.29 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 0.00 0.00 0.00 83 C 8.08 4.29 0.00 3.06 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 84 I 7.45 4.12 1.85 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 1.30 0.55 0.92 0.00 0.00 85 D 8.85 4.46 0.00 2.63 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 86 D 7.39 4.63 0.00 2.60 2.48 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 87 R 8.22 4.23 0.00 1.98 2.04 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.17 4.00 1.78 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.85 0.00 0.00 89 P 0.00 4.41 0.00 2.22 2.07 0.00 3.48 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 90 T 8.34 4.17 4.22 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 1.19 0.00 0.00 91 D 7.97 4.55 0.00 2.85 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 92 P 0.00 4.35 0.00 2.23 2.13 0.00 3.69 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 2.13 2.18 0.00 93 T 7.98 3.96 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 1.35 0.00 0.00 94 M 8.22 4.49 0.00 2.11 2.23 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 2.84 2.60 0.00 95 F 9.03 4.11 0.00 3.26 3.30 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 96 R 8.12 4.00 0.00 1.53 1.70 0.00 3.36 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 97 F 7.77 4.10 0.00 3.31 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 98 Y 7.83 3.99 0.00 2.96 2.63 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 0.00 0.00 0.00 0.00 99 E 8.14 3.64 0.00 1.72 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 0.00 2.28 2.36 0.00 100 M 7.97 4.12 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.56 0.00 101 L 7.39 3.99 0.00 1.50 1.55 0.90 0.90 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 0.00 102 Q 7.43 3.77 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 1.71 2.38 0.00 103 V 7.64 3.65 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 0.22 0.00 0.00 0.89 0.00 0.00 104 Y 8.13 4.64 0.00 3.23 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 0.00 105 G 8.29 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 0.00 106 T 7.83 4.01 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 0.00 107 T 7.88 3.88 4.61 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 1.35 0.00 0.00 108 L 8.40 3.99 0.00 1.84 1.74 0.94 0.83 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 0.00 109 K 8.11 3.79 0.00 1.83 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.47 7.81 110 A 8.22 4.03 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 0.00 111 L 8.33 4.01 0.00 1.73 1.76 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.97 3.80 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 113 H 8.22 5.05 0.00 3.38 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.19 3.96 0.00 2.04 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 0.00 2.29 2.34 0.00 115 K 8.27 3.92 0.00 1.61 1.20 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.50 7.81 116 F 9.00 4.03 0.00 2.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.04 4.03 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 0.00 0.00 0.00 118 D 8.61 4.73 0.00 2.76 2.80 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 0.00 119 G 7.89 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.23 4.79 1.85 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 1.18 0.80 0.91 0.00 0.00 121 I 8.10 4.66 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.93 0.00 0.00 122 S 9.12 4.22 0.00 3.81 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 0.00 123 A 8.56 3.83 0.99 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 0.00 0.00 124 I 7.82 4.24 1.88 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 1.15 0.93 0.93 0.00 0.00 125 N 7.78 4.78 0.00 2.80 2.75 0.00 0.00 6.48 7.71 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 0.00 126 F 8.11 5.44 0.00 3.15 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 0.00 127 K 7.67 4.55 0.00 1.66 1.68 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.15 7.81 128 L 8.25 5.68 0.00 1.67 1.40 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.28 4.77 0.00 2.66 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 0.00 130 V 8.31 4.87 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 0.87 0.00 0.00 0.89 0.00 0.00 131 K 9.04 4.72 0.00 1.70 1.64 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.51 7.81 132 K 8.64 4.86 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.88 4.59 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 0.75 0.00 0.00 0.94 0.00 0.00 134 A 8.69 4.37 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 0.00 135 D 9.03 4.58 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.48 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 E 8.79 4.19 0.00 2.03 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 0.00 2.33 2.25 0.00 138 G 8.65 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 0.00 0.00 0.00 139 G 9.14 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 0.00 140 E 8.33 5.22 0.00 1.82 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 2.21 2.31 0.00 141 R 9.26 4.83 0.00 1.66 1.77 0.00 3.11 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.59 5.07 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 0.00 143 V 9.14 4.22 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 1.04 0.00 0.00 0.94 0.00 0.00 144 I 8.41 4.84 2.00 0.00 0.00 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 1.38 0.67 0.91 0.00 0.00 145 T 8.66 4.50 4.41 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 1.17 0.00 0.00 146 L 8.51 4.70 0.00 1.66 1.96 1.01 1.18 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 0.00 147 D 8.48 4.62 0.00 2.61 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 0.00 0.00 0.00 0.00 148 G 8.52 4.73 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 0.00 0.00 0.00 149 K 8.70 4.32 0.00 1.95 1.71 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.68 4.75 0.00 2.60 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 0.00 151 L 8.24 4.37 0.00 1.43 1.35 0.86 0.54 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 0.00 152 P 0.00 4.46 0.00 2.04 1.93 0.00 3.46 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 153 T 8.73 4.48 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 1.31 0.00 0.00 154 K 8.51 4.83 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 155 P 0.00 4.42 0.00 2.03 1.93 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 156 F 7.78 4.54 0.00 3.06 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