NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4919 8.3049 120.3291 55.5377 32.7311 173.2432 2 N 4.7068 8.3636 123.1121 51.4151 45.7800 173.5146 3 T 3.4017 9.9370 115.9381 64.5311 66.5809 171.5484 4 E 5.0233 7.9785 122.2380 56.4737 37.4300 177.8943 5 E 3.9490 8.2546 119.0030 59.4313 29.6715 178.7493 6 L 4.0033 7.9005 118.4673 57.7312 41.6771 179.3219 7 Q 4.0944 8.0798 117.6418 58.9721 28.6968 178.8616 8 V 3.6319 8.2422 119.3750 66.0223 31.5588 177.7858 9 A 4.0133 8.7837 120.7095 55.0933 18.0830 179.1973 10 A 3.9073 8.0370 119.1328 55.7073 18.5185 179.9460 11 F 3.7689 8.6126 115.9760 60.3421 38.9440 177.5874 12 E 3.9259 8.7215 119.4477 59.4044 29.4491 178.5090 13 I 3.6563 7.8720 119.8158 64.7362 37.2616 178.1700 14 I 3.5168 7.9115 120.3128 64.4707 36.9757 178.3822 15 L 3.9440 8.3183 119.7843 58.0656 41.4660 179.2676 16 N 4.3292 8.2142 116.2068 56.5467 38.3660 177.5270 17 S 4.2000 8.5583 115.0010 61.2344 62.6465 176.4297 18 G 3.6133 8.6576 108.8830 47.6324 0.0000 175.3077 19 N 4.3364 8.4055 119.1351 56.3571 39.0544 176.6559 20 A 3.9912 8.2019 122.4916 55.4048 18.3303 179.5988 21 R 3.8802 8.1281 116.8758 59.7113 30.2013 178.7756 22 S 4.2004 8.0095 114.5076 61.8674 62.8214 176.8947 23 I 3.7799 7.8952 122.4077 64.2324 36.8149 178.5168 24 V 3.4624 8.3109 119.5169 66.4511 31.2520 177.8650 25 H 4.4141 8.5039 116.0376 58.8482 28.4647 177.3897 26 E 3.9501 8.8528 120.6517 59.5928 29.2794 179.3210 27 A 3.9230 8.0208 120.5055 55.1540 18.3982 179.7715 28 F 4.2496 7.9909 116.1927 60.8893 38.8133 177.4036 29 D 4.4550 8.7458 117.4486 57.5556 40.9456 178.7503 30 A 4.0748 8.1727 121.0773 55.2805 18.3168 179.3521 31 M 3.8006 8.0367 117.2958 58.8503 31.7933 179.0611 32 R 4.0811 7.5781 116.2939 58.9282 30.1745 177.8271 33 E 4.4467 7.9511 115.9035 55.1551 29.5331 176.8547 34 K 2.9225 7.5730 116.9683 57.3499 30.7174 177.5522 35 N 4.5205 6.9384 118.4099 52.5281 35.0469 175.6087 36 Y 4.3569 7.1671 120.5523 60.5261 38.3169 177.9852 37 I 3.6924 7.7536 114.2265 63.9220 37.7021 177.5518 38 L 4.8220 8.2076 123.6985 56.7403 41.8328 178.6687 39 A 3.9133 8.2066 120.5365 55.3400 18.2148 179.1216 40 E 3.8730 8.1975 117.2450 59.8738 29.5112 179.7794 41 Q 4.0259 7.8442 116.9604 58.7312 28.9440 178.1635 42 K 3.8341 8.1905 120.6357 59.5760 32.0459 179.1581 43 L 4.0667 8.4674 119.0510 57.4245 41.3797 179.3505 44 Q 3.9879 7.6671 119.6412 58.6400 29.3379 177.0853 45 E 3.8798 9.1511 121.1907 59.4852 29.4986 178.7668 46 A 3.9886 8.4197 120.9465 55.2477 18.6026 179.1723 47 N 4.2720 7.8842 115.3753 56.4429 38.7000 177.0214 48 D 4.3414 7.8885 120.0815 57.3149 41.2400 178.1934 49 E 4.0883 8.0357 118.5843 59.3553 29.4581 178.7792 50 L 3.9151 8.0447 120.5542 58.5014 41.9837 178.7778 51 L 3.9442 7.8689 119.4344 58.1133 41.8166 179.2830 52 K 3.9657 8.1887 118.2830 59.3515 31.9842 179.2003 53 A 3.9726 7.9343 120.6095 55.3767 18.3929 178.9896 54 H 3.9874 8.5119 117.0126 59.3297 29.8507 177.2959 55 Q 3.9713 8.8277 121.5182 59.2619 28.9334 178.1802 56 A 3.9937 8.3072 121.8262 54.8726 18.3189 179.4405 57 Q 4.0009 8.4207 118.9175 59.5353 29.1357 178.1145 58 T 3.9223 8.4421 117.1707 66.7921 68.4319 176.2932 59 D 4.3423 8.4872 120.9629 57.3550 40.8841 178.4449 60 L 4.0022 7.5030 118.1247 58.1735 41.7354 179.5992 61 L 4.0653 8.0165 120.1327 57.6450 41.9719 178.3575 62 Q 4.3333 8.3940 116.8091 57.6332 29.1617 177.9460 63 E 3.9376 8.5957 121.8402 59.7420 29.3454 178.4886 64 Y 4.0342 7.8949 117.9313 60.5268 38.9060 177.4658 65 A 4.0724 7.8698 120.8019 55.0817 18.6273 179.5485 66 S 4.2155 7.9442 111.6892 60.0549 63.1445 173.9978 67 G 3.3373 6.4011 111.2100 45.5809 0.0000 174.0811 68 T 4.3964 6.7485 115.9010 62.4882 72.5033 172.5699 69 E 4.7853 8.1140 122.6320 55.8374 32.3324 175.3934 70 I 4.4633 8.6080 126.2349 59.4625 39.7718 174.4406 71 K 4.3500 8.5530 127.2350 54.7177 32.2723 175.6318 72 I 3.5713 7.6051 129.0906 59.6616 37.9983 173.6848 73 E 4.1493 8.1413 121.3353 56.9384 29.7378 175.8830 74 I 3.7478 8.2763 122.2844 63.9909 38.0594 178.0872 75 I 3.7584 7.8114 113.7390 64.1075 37.1646 177.7327 76 M 3.9289 7.9066 119.3056 58.5321 32.1648 178.2447 77 V 3.5731 7.7690 117.8278 66.3279 31.6710 177.2249 78 H 4.1302 8.8333 117.9444 59.0838 29.6043 177.1217 79 A 3.8378 8.2243 122.8611 55.2907 18.2363 179.3284 80 Q 3.8876 8.4204 116.8781 59.3776 28.7554 179.0455 81 D 4.3427 8.5361 119.8448 57.8513 40.8914 178.6646 82 H 3.9164 8.0323 116.2379 58.7967 28.6689 177.4607 83 L 4.0694 8.0045 123.3139 58.1484 42.0668 179.0456 84 M 4.0667 8.2199 118.9091 58.4401 31.8911 178.8968 85 T 4.0065 8.3467 110.4285 64.7710 68.9876 177.1373 86 T 3.9323 7.9379 118.8900 66.4555 68.4943 176.2259 87 M 3.9841 8.2528 120.4173 59.0827 32.2015 178.2370 88 T 3.8439 7.7620 115.4503 66.7656 68.6064 176.1660 89 L 4.0129 8.4021 122.3973 58.3186 42.0716 179.0518 90 R 3.7828 8.4797 119.0745 59.1070 30.0373 178.0136 91 E 3.8997 8.5849 119.7953 59.2173 29.5305 179.0905 92 V 3.6075 8.0548 118.0389 65.9314 31.6866 177.8123 93 A 3.8027 8.1368 121.0006 54.9503 17.9683 179.5687 94 I 3.5743 7.5904 111.5351 64.2810 37.6034 178.0966 95 E 3.9590 7.9759 120.2248 59.5063 29.3663 179.4856 96 M 4.2814 8.8867 118.7603 57.9831 31.7347 178.6011 97 L 4.0537 7.7757 120.3120 57.8320 42.5150 178.4440 98 E 4.0169 7.9538 118.5868 59.3758 29.5857 178.7641 99 L 3.8962 7.7029 119.7193 58.6508 41.8155 178.5688 100 Y 4.0196 7.8158 115.1773 61.0897 37.9784 178.5553 101 K 3.9031 7.5654 115.8514 57.4111 32.0769 177.3063 102 K 4.1778 7.7153 124.2721 56.4124 32.3183 175.8876 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 4.49 0.00 2.04 2.10 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 2.51 2.58 0.00 2 N 8.36 4.71 0.00 2.77 2.78 0.00 0.00 7.24 6.65 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 3 T 9.94 3.40 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 1.26 0.00 0.00 4 E 7.98 5.02 0.00 2.02 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 2.25 2.30 0.00 5 E 8.25 3.95 0.00 2.23 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 2.40 2.49 0.00 6 L 7.90 4.00 0.00 1.76 1.73 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.08 4.09 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 8 V 8.24 3.63 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 1.11 0.00 0.00 0.98 0.00 0.00 9 A 8.78 4.01 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 10 A 8.04 3.91 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 11 F 8.61 3.77 0.00 3.30 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 12 E 8.72 3.93 0.00 2.20 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 2.33 2.39 0.00 13 I 7.87 3.66 2.00 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 1.69 0.67 0.89 0.00 0.00 14 I 7.91 3.52 1.62 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 1.29 0.53 0.67 0.00 0.00 15 L 8.32 3.94 0.00 1.88 1.74 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.21 4.33 0.00 2.84 3.06 0.00 0.00 6.78 7.03 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 17 S 8.56 4.20 0.00 3.84 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 18 G 8.66 3.61 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 0.00 19 N 8.41 4.34 0.00 2.83 2.82 0.00 0.00 7.02 7.19 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 20 A 8.20 3.99 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 21 R 8.13 3.88 0.00 2.12 2.01 0.00 3.15 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 22 S 8.01 4.20 0.00 4.13 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 23 I 7.90 3.78 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.97 0.00 0.00 24 V 8.31 3.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 25 H 8.50 4.41 0.00 3.41 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.85 3.95 0.00 2.19 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 2.35 2.38 0.00 27 A 8.02 3.92 1.17 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 0.00 0.00 28 F 7.99 4.25 0.00 3.34 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 29 D 8.75 4.46 0.00 2.81 2.78 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 30 A 8.17 4.07 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 31 M 8.04 3.80 0.00 0.51 1.98 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 32 R 7.58 4.08 0.00 2.03 2.09 0.00 3.19 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 33 E 7.95 4.45 0.00 2.04 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 2.23 2.31 0.00 34 K 7.57 2.92 0.00 1.66 1.48 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 35 N 6.94 4.52 0.00 2.77 2.69 0.00 0.00 7.04 7.36 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 36 Y 7.17 4.36 0.00 2.99 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 37 I 7.75 3.69 1.87 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 1.51 0.69 0.93 0.00 0.00 38 L 8.21 4.82 0.00 1.74 1.87 0.94 1.15 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 39 A 8.21 3.91 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 40 E 8.20 3.87 0.00 2.31 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 2.33 2.33 0.00 41 Q 7.84 4.03 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 42 K 8.19 3.83 0.00 1.98 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.62 7.81 43 L 8.47 4.07 0.00 1.88 1.66 0.72 0.58 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 44 Q 7.67 3.99 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 45 E 9.15 3.88 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 2.31 2.34 0.00 46 A 8.42 3.99 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 47 N 7.88 4.27 0.00 2.95 2.91 0.00 0.00 7.25 8.38 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 48 D 7.89 4.34 0.00 2.90 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 49 E 8.04 4.09 0.00 2.01 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 2.49 2.64 0.00 50 L 8.04 3.92 0.00 2.01 1.70 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.87 3.94 0.00 1.92 1.86 0.91 0.47 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 52 K 8.19 3.97 0.00 2.15 1.85 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.51 7.81 53 A 7.93 3.97 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 54 H 8.51 3.99 0.00 3.45 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.83 3.97 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 56 A 8.31 3.99 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 57 Q 8.42 4.00 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 58 T 8.44 3.92 4.43 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 1.24 0.00 0.00 59 D 8.49 4.34 0.00 2.69 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 60 L 7.50 4.00 0.00 1.96 1.75 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.02 4.07 0.00 2.08 1.69 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.39 4.33 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 63 E 8.60 3.94 0.00 2.25 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 2.47 2.49 0.00 64 Y 7.89 4.03 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.87 4.07 1.46 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 0.00 0.00 0.00 66 S 7.94 4.22 0.00 4.01 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 67 G 6.40 3.34 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 0.00 68 T 6.75 4.40 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 1.21 0.00 0.00 69 E 8.11 4.79 0.00 1.86 1.79 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 2.07 2.26 0.00 70 I 8.61 4.46 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.93 0.00 0.00 71 K 8.55 4.35 0.00 1.73 1.73 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.46 7.81 72 I 7.61 3.57 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.89 0.00 0.00 73 E 8.14 4.15 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.24 0.00 74 I 8.28 3.75 1.87 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 1.68 0.77 0.91 0.00 0.00 75 I 7.81 3.76 1.78 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 1.55 1.05 0.80 0.00 0.00 76 M 7.91 3.93 0.00 2.35 2.16 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 2.57 2.58 0.00 77 V 7.77 3.57 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 0.77 0.00 0.00 0.97 0.00 0.00 78 H 8.83 4.13 0.00 3.28 3.43 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.22 3.84 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 80 Q 8.42 3.89 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 81 D 8.54 4.34 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 82 H 8.03 3.92 0.00 3.20 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.00 4.07 0.00 1.70 1.61 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 M 8.22 4.07 0.00 2.05 2.07 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 2.58 2.74 0.00 85 T 8.35 4.01 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 1.20 0.00 0.00 86 T 7.94 3.93 4.43 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 1.25 0.00 0.00 87 M 8.25 3.98 0.00 2.29 2.10 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 2.62 2.61 0.00 88 T 7.76 3.84 4.43 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 1.23 0.00 0.00 89 L 8.40 4.01 0.00 1.88 1.89 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.48 3.78 0.00 1.85 2.14 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 91 E 8.58 3.90 0.00 2.23 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 2.31 2.32 0.00 92 V 8.05 3.61 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 1.11 0.00 0.00 1.02 0.00 0.00 93 A 8.14 3.80 0.66 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 94 I 7.59 3.57 1.83 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 0.85 0.96 0.00 0.00 95 E 7.98 3.96 0.00 2.22 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 2.50 2.52 0.00 96 M 8.89 4.28 0.00 2.41 2.60 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 97 L 7.78 4.05 0.00 1.67 1.87 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.95 4.02 0.00 2.13 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 2.51 2.45 0.00 99 L 7.70 3.90 0.00 1.90 1.76 0.87 1.14 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 0.00 100 Y 7.82 4.02 0.00 3.12 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 0.00 101 K 7.57 3.90 0.00 1.76 1.73 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.09 1.12 7.81 102 K 7.72 4.18 0.00 1.85 1.66 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.50 7.81