NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4532 8.3044 120.3305 55.2848 33.4354 173.9514 2 V 5.2296 8.3204 120.1195 58.8727 34.0308 173.5399 3 K 4.5978 8.4294 124.3348 55.3259 36.1932 174.3036 4 Q 4.5588 8.8901 127.0740 55.8679 30.3623 174.8722 5 I 4.2670 8.4844 128.1360 59.7463 38.6770 175.6752 6 E 5.0175 8.6260 126.2515 56.0417 29.4331 176.4115 7 S 4.6470 7.3577 114.1352 56.3465 67.9488 174.8732 8 K 4.1196 8.5659 123.4093 59.6162 31.9986 179.0480 9 T 3.8611 7.9211 115.5990 66.1179 68.5085 176.5964 10 A 4.1875 7.9949 122.5263 54.9116 18.4733 179.1318 11 F 4.2035 8.0202 118.7910 61.7648 39.4331 177.4634 12 Q 3.8808 7.7674 117.2187 58.7936 28.2508 178.4851 13 E 3.9040 7.8833 118.4638 59.5463 29.8595 179.0864 14 A 4.0850 8.3273 121.0418 55.0309 18.1093 179.6856 15 L 3.7237 7.7531 117.6323 57.8663 41.3946 179.2263 16 D 4.2834 8.0495 116.9098 56.8622 41.1371 177.9128 17 A 4.0950 7.4603 120.3751 55.3047 18.4642 178.9887 18 A 4.0204 7.8040 117.9508 52.9605 18.8418 179.2146 19 G 3.6785 8.7824 108.3746 45.1280 0.0000 173.7549 20 D 4.6287 8.6307 122.5228 54.2553 42.8796 176.0689 21 K 4.3194 7.6657 117.5362 56.4345 33.4489 176.3316 22 L 4.1244 8.4849 125.3157 55.0165 43.5077 175.5264 23 V 4.3389 9.0247 127.5431 61.3501 33.1215 174.6253 24 V 4.8519 7.7940 127.8716 60.2460 33.1466 175.4712 25 V 5.0297 9.6200 119.1037 59.3275 36.2958 174.0303 26 D 5.0892 7.9698 121.2801 52.5582 44.3240 174.4817 27 F 4.4594 9.5636 125.4587 56.3944 40.4035 174.7550 28 S 4.9508 8.3277 119.5118 56.4386 66.5939 172.5069 29 A 5.0390 7.7391 118.4580 50.5505 21.9157 177.9024 30 T 3.8191 8.6873 116.8072 66.2739 68.7576 175.7752 31 W 4.6752 8.0682 115.7365 56.4219 28.3910 175.9884 32 C 4.3384 7.2911 118.7482 55.6334 44.1048 173.4949 33 G 3.7794 7.9166 112.4855 46.3016 0.0000 174.1937 34 P 4.3099 0.0000 0.0000 64.9182 31.5604 179.4875 35 C 4.2111 8.0245 114.9876 60.0365 36.0124 176.1142 36 K 3.8114 8.0772 119.8093 59.4805 31.3445 179.2526 37 M 4.0491 7.5707 117.8839 57.7130 32.1134 178.0433 38 I 4.2978 7.5661 119.3940 62.9626 37.5097 177.9484 39 K 3.9064 7.5303 120.1214 59.2336 32.0746 176.8922 40 P 4.1205 0.0000 0.0000 66.0032 31.2884 178.6176 41 F 4.5979 7.5011 115.4035 59.9936 38.9103 177.7594 42 F 4.3657 9.0209 121.0780 61.6943 39.0810 176.7589 43 H 4.1053 8.7690 116.9674 59.1830 29.9934 176.7440 44 S 4.2240 8.0265 114.5614 61.4653 62.2537 176.1044 45 L 3.9488 7.6975 121.3998 57.8562 41.0893 179.3247 46 S 3.3861 6.4410 111.4745 60.8943 62.1611 175.5248 47 E 4.1900 7.7699 119.4578 57.4730 29.5801 177.5981 48 K 4.4218 7.7299 117.8282 56.5922 32.4842 176.1923 49 Y 4.2273 8.2719 118.0964 56.2163 37.8421 175.5501 50 S 4.5895 8.1942 125.4128 57.4356 62.7974 173.1700 51 N 5.0993 7.9668 117.1477 54.5386 45.7800 175.1988 52 V 4.3800 7.4996 107.8942 60.3558 33.8063 175.7448 53 I 4.3918 8.2185 123.1248 59.6748 39.8175 174.2923 54 F 4.7361 8.9341 129.1691 56.0268 39.8893 174.9742 55 L 5.2492 8.4618 123.6223 53.9410 44.9086 174.6822 56 E 4.7064 8.6036 119.1151 54.2824 32.5416 174.4213 57 V 4.0960 8.0340 126.8941 61.0618 33.7507 173.7397 58 D 4.7989 7.8239 128.1880 52.7270 41.6201 177.4124 59 V 3.8246 8.4126 127.1569 64.6773 31.2983 177.3744 60 D 4.5214 8.6077 120.3958 56.8185 41.4231 176.3033 61 D 4.5872 8.0930 116.5956 55.5517 42.0835 177.0009 62 A 4.5072 8.4752 124.1591 51.7528 18.4176 177.8709 63 Q 4.3097 7.8830 120.7562 57.6708 29.8664 175.7655 64 D 4.6475 7.8771 115.8583 56.8877 42.1015 178.8284 65 V 3.8034 7.7543 112.1250 64.0510 31.7070 177.9048 66 A 3.8685 8.2314 120.0143 55.1956 18.2159 177.6893 67 P 4.3636 0.0000 0.0000 65.7201 31.1049 178.6958 68 K 4.0101 7.7203 115.9727 58.1626 32.0876 177.7343 69 Y 4.7352 7.9459 115.1982 56.3891 38.9902 175.5277 70 G 3.8882 7.5069 107.1459 46.4828 0.0000 174.2545 71 I 3.8401 7.6877 119.8393 60.9669 38.3358 177.2903 72 R 4.5891 8.1939 124.2780 53.2385 30.0644 175.1474 73 G 4.7278 7.0870 117.7403 45.6438 0.0000 170.6039 74 I 4.4926 7.7782 119.2563 58.0861 39.6786 173.3207 75 P 4.6413 0.0000 0.0000 62.7363 32.5507 175.0431 76 T 4.5513 8.3678 122.4222 62.4784 70.4788 173.5309 77 L 5.0690 9.4727 129.0117 53.3807 44.3727 174.8397 78 L 5.0717 9.3726 126.3978 52.8785 45.1611 175.3970 79 L 5.0390 8.8075 123.3927 53.2396 44.1652 175.3636 80 F 5.0148 9.9011 124.5458 55.6850 41.9147 175.4937 81 K 4.5854 9.3468 124.5494 55.0756 35.1748 175.9069 82 N 4.2559 8.9847 126.3863 53.8999 35.6167 175.5670 83 G 3.9951 8.4718 103.4428 45.7208 0.0000 173.2234 84 E 4.7061 7.8511 120.4919 53.5649 32.2936 175.0974 85 V 3.3418 8.3604 124.9497 63.2676 31.5069 175.1944 86 A 4.6679 8.3517 128.5036 51.4206 20.0056 175.8698 87 A 4.4608 7.0824 114.4256 51.4846 22.2837 175.4407 88 T 5.0722 8.7163 114.2132 60.4308 70.9206 173.2158 89 K 4.5857 9.4490 125.9957 54.6378 36.6028 175.3783 90 V 4.3685 8.3265 123.0831 62.1093 34.2355 176.1443 91 G 4.0305 8.4185 110.1458 45.2249 0.0000 173.2960 92 A 4.2572 8.0913 122.1482 52.0287 19.0791 177.0574 93 L 4.6795 7.8701 118.4085 53.1684 43.2644 176.5404 94 S 4.2717 8.2582 116.8865 58.0615 65.0144 175.4291 95 K 3.9521 8.0634 122.1406 59.5253 31.7939 178.8326 96 G 3.6584 7.8755 105.7097 47.4869 0.0000 175.6275 97 Q 4.1325 7.9794 119.7222 58.2008 28.8235 178.2342 98 L 4.0660 7.6896 121.6650 58.0411 42.2842 178.7142 99 K 4.0867 8.0493 119.7087 59.5563 32.1523 178.4363 100 E 4.0841 8.3455 117.9413 59.4869 28.8931 178.9014 101 F 4.4223 8.2615 121.1549 60.9667 38.8470 177.1314 102 L 3.7674 8.1713 118.5445 57.9614 41.3027 178.7107 103 D 4.8166 8.5052 116.7296 57.7492 41.0825 178.2262 104 A 4.1325 7.9396 119.9385 53.9873 18.4204 178.0062 105 N 4.8134 7.2592 113.3391 53.5792 40.4871 174.2345 106 L 4.2384 8.8997 122.6537 54.4605 41.4149 176.8285 107 V 4.0542 7.9633 118.5853 61.6059 32.6356 175.5822 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 4.45 0.00 2.05 2.09 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 2.52 2.56 0.00 2 V 8.32 5.23 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 0.98 0.00 0.00 0.80 0.00 0.00 3 K 8.43 4.60 0.00 1.82 1.86 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.44 7.81 4 Q 8.89 4.56 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 5 I 8.48 4.27 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 1.01 0.00 0.00 6 E 8.63 5.02 0.00 1.95 1.95 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 2.54 2.29 0.00 7 S 7.36 4.65 0.00 3.83 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 8 K 8.57 4.12 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.56 7.81 9 T 7.92 3.86 4.27 0.00 0.00 0.00 0.00 0.00 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 10 A 7.99 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 11 F 8.02 4.20 0.00 3.08 3.24 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 12 Q 7.77 3.88 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 13 E 7.88 3.90 0.00 2.11 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 2.34 2.43 0.00 14 A 8.33 4.08 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 15 L 7.75 3.72 0.00 1.65 1.52 0.06 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.05 4.28 0.00 2.78 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 7.46 4.10 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 A 7.80 4.02 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 19 G 8.78 3.68 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 0.00 0.00 0.00 20 D 8.63 4.63 0.00 2.62 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 21 K 7.67 4.32 0.00 1.69 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.44 7.81 22 L 8.48 4.12 0.00 1.76 1.55 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.02 4.34 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 0.99 0.00 0.00 0.97 0.00 0.00 24 V 7.79 4.85 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 -0.67 0.00 0.00 0.79 0.00 0.00 25 V 9.62 5.03 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 0.85 0.00 0.00 1.36 0.00 0.00 26 D 7.97 5.09 0.00 1.67 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 9.56 4.46 0.00 3.10 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 28 S 8.33 4.95 0.00 3.74 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.74 5.04 0.63 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 0.00 0.00 30 T 8.69 3.82 4.37 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 1.24 0.00 0.00 31 W 8.07 4.68 0.00 3.58 3.16 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 32 C 7.29 4.34 0.00 2.27 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 33 G 7.92 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 34 P 0.00 4.31 0.00 2.12 2.12 0.00 3.53 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 2.08 2.18 0.00 35 C 8.02 4.21 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.81 0.00 1.95 1.81 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 37 M 7.57 4.05 0.00 2.02 2.35 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 2.63 2.56 0.00 38 I 7.57 4.30 1.96 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 1.78 0.97 1.08 0.00 0.00 39 K 7.53 3.91 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.51 7.81 40 P 0.00 4.12 0.00 1.24 1.81 0.00 3.33 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 1.76 2.01 0.00 41 F 7.50 4.60 0.00 3.23 3.09 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 0.00 42 F 9.02 4.37 0.00 3.41 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 43 H 8.77 4.11 0.00 3.36 3.32 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.03 4.22 0.00 4.23 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 45 L 7.70 3.95 0.00 1.37 1.34 1.09 0.93 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 46 S 6.44 3.39 0.00 3.15 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 47 E 7.77 4.19 0.00 2.12 1.95 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 2.29 2.29 0.00 48 K 7.73 4.42 0.00 1.72 1.93 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.45 7.81 49 Y 8.27 4.23 0.00 3.00 2.94 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 50 S 8.19 4.59 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 7.97 5.10 0.00 2.75 2.82 0.00 0.00 7.27 7.73 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 52 V 7.50 4.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.18 0.00 0.00 53 I 8.22 4.39 1.89 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 1.23 1.49 0.89 0.00 0.00 54 F 8.93 4.74 0.00 2.86 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 55 L 8.46 5.25 0.00 2.11 1.78 1.10 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.60 4.71 0.00 2.11 1.77 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 2.10 2.10 0.00 57 V 8.03 4.10 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 0.00 0.00 0.06 0.00 0.00 0.65 0.00 0.00 58 D 7.82 4.80 0.00 2.80 2.46 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 59 V 8.41 3.82 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 60 D 8.61 4.52 0.00 2.89 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 61 D 8.09 4.59 0.00 2.67 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 62 A 8.48 4.51 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 63 Q 7.88 4.31 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 64 D 7.88 4.65 0.00 2.72 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 65 V 7.75 3.80 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 66 A 8.23 3.87 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 67 P 0.00 4.36 0.00 2.14 2.12 0.00 3.61 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 2.28 2.14 0.00 68 K 7.72 4.01 0.00 1.61 1.43 0.00 1.80 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 69 Y 7.95 4.74 0.00 2.89 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 70 G 7.51 3.89 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 0.00 0.00 0.00 71 I 7.69 3.84 1.57 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.35 0.70 0.00 0.00 72 R 8.19 4.59 0.00 1.70 1.77 0.00 3.40 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 73 G 7.09 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 74 I 7.78 4.49 1.73 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.95 0.00 0.00 75 P 0.00 4.64 0.00 2.07 2.15 0.00 3.68 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 1.99 1.95 0.00 76 T 8.37 4.55 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 77 L 9.47 5.07 0.00 1.65 1.60 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 L 9.37 5.07 0.00 1.88 1.80 0.76 0.26 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 79 L 8.81 5.04 0.00 1.57 1.44 0.85 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.90 5.01 0.00 2.83 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 81 K 9.35 4.59 0.00 1.68 1.60 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.40 7.81 82 N 8.98 4.26 0.00 2.93 2.90 0.00 0.00 7.48 7.80 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 83 G 8.47 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 0.00 0.00 0.00 84 E 7.85 4.71 0.00 2.03 1.77 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 2.21 2.24 0.00 85 V 8.36 3.34 1.88 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 0.53 0.00 0.00 0.24 0.00 0.00 86 A 8.35 4.67 1.15 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 0.00 0.00 87 A 7.08 4.46 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 88 T 8.72 5.07 4.17 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 1.19 0.00 0.00 89 K 9.45 4.59 0.00 1.47 1.44 0.00 1.41 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.53 0.47 7.81 90 V 8.33 4.37 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 0.89 0.00 0.00 0.88 0.00 0.00 91 G 8.42 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 92 A 8.09 4.26 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 93 L 7.87 4.68 0.00 1.80 1.56 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.26 4.27 0.00 3.82 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 95 K 8.06 3.95 0.00 1.12 1.52 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.49 7.81 96 G 7.88 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 97 Q 7.98 4.13 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 98 L 7.69 4.07 0.00 1.98 1.78 1.21 0.63 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 99 K 8.05 4.09 0.00 2.20 1.89 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.76 7.81 100 E 8.35 4.08 0.00 2.36 2.36 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 2.38 2.63 0.00 101 F 8.26 4.42 0.00 3.29 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 L 8.17 3.77 0.00 1.88 1.66 0.36 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.51 4.82 0.00 2.88 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 0.00 104 A 7.94 4.13 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 0.00 105 N 7.26 4.81 0.00 2.46 2.60 0.00 0.00 6.91 7.50 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 0.00 106 L 8.90 4.24 0.00 1.75 1.75 0.98 0.94 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 0.00 107 V 7.96 4.05 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 0.74 0.00 0.00 0.97 0.00 0.00