NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2021 8.1633 120.2856 54.6953 33.1770 174.1922 2 K 4.0134 8.4941 126.2963 56.1814 32.4642 175.7474 3 G 3.9399 8.7055 113.7520 44.8744 0.0000 171.9305 4 D 4.5628 8.4790 119.6138 54.4028 41.9662 177.0638 5 T 3.8695 8.8754 122.8839 66.8577 68.6075 176.6864 6 K 3.8688 8.1765 120.8950 59.0726 32.2239 178.9015 7 V 3.9042 8.5895 118.9935 66.1579 31.4366 177.8764 8 I 3.7413 7.7129 119.2971 64.6768 36.9006 178.1026 9 N 4.2501 8.2255 117.0388 56.4153 38.3350 177.0146 10 Y 4.0895 7.9420 117.9995 61.1961 38.0298 178.6797 11 L 3.9251 8.5971 120.0825 58.0088 41.6465 179.4876 12 N 4.3870 8.5089 116.7340 55.9408 38.4191 177.4902 13 K 3.8691 8.2792 121.5748 59.3919 32.3348 178.9427 14 L 3.8270 8.2305 119.6216 57.6164 41.3875 179.0303 15 L 4.0220 7.8479 120.7710 58.1517 41.9576 179.2340 16 G 3.6223 8.1290 105.6393 47.9021 0.0000 175.2961 17 N 4.3469 8.0017 119.0451 56.1256 38.6140 177.3389 18 E 4.0808 8.2949 119.8219 59.4090 29.4480 179.2851 19 L 3.9930 8.1963 119.1994 57.8278 41.6300 179.7734 20 V 3.5869 7.7476 117.5187 66.0846 31.5004 177.8886 21 A 3.8749 8.1899 120.5004 55.0695 18.1431 179.4585 22 I 3.7641 8.4092 118.6267 64.8592 37.1849 178.4474 23 N 4.3760 7.9104 117.0991 56.4204 38.3977 177.4150 24 Q 3.8369 8.2969 121.1770 59.3217 29.0661 177.9109 25 Y 4.3415 8.4718 118.3212 60.9196 37.9174 177.9599 26 F 3.8208 8.5960 121.7470 61.0766 39.4878 176.7887 27 L 3.9641 8.2933 120.0863 58.5946 41.8530 178.4589 28 H 3.8398 8.2404 115.7973 58.8057 28.6554 177.2277 29 A 4.1715 8.3160 122.7568 55.7314 18.1123 179.9205 30 R 3.9168 7.8180 115.5153 58.6919 30.1571 179.2881 31 M 3.5990 7.8014 119.2484 58.2052 31.8708 178.3975 32 F 4.5897 7.7386 118.2761 60.6691 39.1266 177.6660 33 K 3.9368 8.1466 119.0444 59.5567 31.7902 178.2721 34 N 4.2981 8.0656 116.2356 56.8173 38.9893 176.6207 35 F 4.7716 8.2500 118.0260 59.0283 38.9690 176.4729 36 G 3.9846 8.0945 106.3103 45.8681 0.0000 175.2385 37 L 4.4810 8.0668 122.1847 52.6163 38.2385 176.9055 38 K 3.8231 7.9402 122.9897 59.9105 32.6086 177.5415 39 R 3.9313 8.2772 118.9164 59.2668 29.9455 178.4590 40 L 4.1132 7.8869 118.7930 57.3123 41.4449 178.8444 41 N 4.5640 8.1803 116.7949 56.7932 39.0013 176.4786 42 D 4.3096 8.0516 120.2162 57.3769 41.0898 178.9881 43 V 3.3582 7.6121 118.3980 66.0755 31.4161 177.9630 44 E 3.8385 8.3746 118.4485 59.2391 29.2925 178.5728 45 Y 3.8237 8.1941 119.8601 61.1529 38.5855 178.0458 46 H 4.2056 8.3051 115.9188 57.8083 28.7064 177.1631 47 E 3.7597 7.4837 120.2559 58.1248 29.5430 178.3055 48 S 4.0731 7.8191 113.5901 61.5688 62.4428 176.2409 49 I 3.5535 7.3176 122.2627 64.3819 36.8588 177.8217 50 D 4.2024 7.4800 118.3043 57.5222 40.9786 178.3088 51 E 4.0802 8.1322 118.8585 59.2815 29.3236 179.2373 52 M 4.0525 8.0186 119.0820 58.3626 32.0427 178.6786 53 K 3.8846 8.0618 118.5443 59.8385 32.2015 179.1157 54 H 4.1045 8.0101 115.8558 58.7443 28.5992 177.4824 55 A 4.2361 8.3325 122.8950 55.4575 18.2069 178.9920 56 D 4.3087 8.4142 116.6551 57.7708 41.2399 178.8359 57 R 3.8892 7.8741 118.3481 59.4057 30.0063 178.6917 58 Y 4.3025 7.9058 116.4899 61.2250 37.9036 178.6417 59 I 3.8050 8.2644 121.0838 64.5758 37.1812 178.4297 60 E 4.0771 8.4450 119.4694 59.1644 29.1932 179.4352 61 R 4.0427 8.1625 118.9243 59.5065 30.2022 178.5149 62 I 3.7709 8.4928 119.9569 64.5412 37.1466 178.4208 63 L 4.0537 8.0759 119.7242 57.7110 41.2141 179.3635 64 F 4.4117 8.1827 119.7094 61.2773 39.7095 176.4906 65 L 4.5211 8.1746 117.7804 53.9441 41.1593 177.2458 66 E 3.8621 7.9729 117.5942 57.3539 27.0717 174.5892 67 G 3.9223 8.2185 108.9500 44.1604 0.0000 173.7828 68 L 4.5229 8.0045 119.1703 51.9949 41.9106 175.0565 69 P 4.3745 0.0000 0.0000 62.5625 31.7572 176.0396 70 N 4.7214 9.4771 122.2370 52.4097 38.7620 173.8454 71 L 4.6371 8.3334 124.1418 54.5555 42.4650 177.4645 72 Q 4.1460 8.5825 122.1763 58.1227 29.3926 175.9585 73 D 4.6690 8.0377 116.8448 52.9715 41.9124 175.2780 74 L 4.5968 8.2827 125.2146 52.8144 44.1961 176.6126 75 G 3.8158 8.4363 115.3757 44.5951 0.0000 171.8704 76 K 4.0880 8.3228 120.7858 55.8108 32.3958 176.6947 77 L 4.1119 8.3647 126.8417 54.3877 42.3058 176.0264 78 N 4.8310 8.8563 121.1751 52.1122 40.2991 174.0247 79 I 3.9331 8.5830 126.6325 63.7242 37.9200 177.9597 80 G 4.1802 8.1291 102.5608 45.8444 0.0000 172.5084 81 E 4.5847 8.6729 117.3321 56.2743 31.9267 176.7782 82 D 5.0887 7.6771 117.1416 50.8806 43.4023 176.8307 83 V 3.9674 8.4421 119.2657 66.6431 31.2863 177.5427 84 E 3.8412 8.2029 117.9218 59.4868 29.5343 178.2039 85 E 3.9678 8.3824 119.2475 59.5188 29.6375 178.7106 86 M 4.0847 8.2595 117.1190 58.2363 31.3759 178.5843 87 L 4.1457 8.4641 120.5601 57.6476 41.7439 179.4898 88 R 3.9000 8.4335 119.0874 59.3652 30.0936 178.5562 89 S 4.0948 8.1532 113.1474 61.3343 62.3788 175.8222 90 D 4.2172 8.1587 121.6745 57.1201 40.4992 178.4710 91 L 3.9745 8.2152 120.6252 58.2834 42.1734 178.8067 92 A 3.9866 8.2383 120.8449 55.2253 18.2568 179.4020 93 L 3.9385 7.8814 118.5293 58.1277 42.0529 178.8430 94 E 4.0565 8.2716 119.4859 59.1466 29.7349 178.6820 95 L 4.0259 8.2170 119.2729 58.0414 41.8214 179.3154 96 D 4.5316 8.3524 118.9667 57.1625 40.7220 179.0952 97 G 3.6404 8.3390 106.2962 47.6225 0.0000 175.7150 98 A 4.0795 8.4382 123.5220 54.6266 18.4393 179.6127 99 K 3.8619 7.9558 117.7295 59.9411 32.2589 178.8496 100 N 4.4285 8.0722 116.2251 56.1713 38.3119 177.4560 101 L 3.9842 8.0461 120.4378 57.8754 41.7575 179.6542 102 R 3.8966 8.1896 118.1446 59.2445 29.8928 178.7828 103 E 3.8586 8.1005 118.4984 59.2449 29.6080 178.7091 104 A 2.8145 7.9715 121.0811 54.7824 18.3545 179.6451 105 I 3.7156 8.0465 118.8052 64.4607 36.9434 178.8976 106 G 3.5954 7.6309 105.0978 47.8657 0.0000 174.8944 107 Y 4.1065 7.6685 121.4863 60.2825 38.8974 177.3298 108 A 3.8098 8.2191 122.1159 55.2902 18.3966 178.9910 109 D 4.0819 7.9220 116.5061 57.4776 41.0907 178.5552 110 S 4.1707 7.5138 112.8964 60.1235 63.2862 175.6949 111 V 4.0036 6.8500 113.8035 60.7311 31.6184 175.6465 112 H 2.7480 7.1279 114.2219 56.5937 27.0917 176.4691 113 D 4.5577 7.3807 121.0203 53.6316 37.4603 176.2758 114 Y 4.3250 7.4663 121.4310 60.6915 38.4729 178.2776 115 V 3.7265 7.8972 119.9674 64.7417 31.7200 178.3403 116 S 4.1702 8.3674 115.8326 61.4434 62.6439 176.6875 117 R 3.8792 8.0251 121.1860 59.3985 29.9394 177.9653 118 D 4.3051 8.4329 118.1023 57.6191 41.3070 177.6796 119 M 3.9562 8.1610 118.6500 59.2467 32.1053 178.1717 120 M 4.1553 8.2364 118.6477 58.3956 32.0954 178.8651 121 I 3.7299 8.2739 120.5806 64.2331 37.2416 178.3042 122 E 3.9674 8.1302 119.3699 59.4638 29.2222 179.4516 123 I 3.5460 7.6160 119.7094 64.1177 37.1301 178.1623 124 L 3.9205 8.1452 121.4182 58.1555 41.9057 178.8046 125 R 3.8912 8.0423 118.5377 59.7987 30.0656 178.1335 126 D 4.3430 8.0921 118.3912 57.4236 40.7316 178.7270 127 E 3.9506 8.3572 119.3080 59.4281 29.3954 179.1418 128 E 4.1505 8.8256 119.2257 59.1981 29.4667 179.5580 129 G 3.7299 8.0933 105.8093 48.3014 0.0000 175.3647 130 H 4.4341 8.0835 118.8461 58.5349 28.7093 177.8088 131 I 3.8095 8.2937 121.9971 64.5580 37.0033 177.6801 132 D 4.3888 8.4456 118.9244 57.2421 41.0142 178.2286 133 W 4.1404 8.3827 128.5004 60.4969 30.8146 177.7377 134 L 3.7523 8.5267 119.1488 57.9071 41.1401 179.3681 135 E 3.9270 8.5342 118.6797 59.7303 29.3350 179.5609 136 T 3.7812 7.8745 115.5475 66.6662 68.5174 176.3664 137 E 3.7629 7.6649 120.2652 59.4772 29.2790 179.5548 138 L 3.7701 7.6971 118.7483 57.7815 41.5480 179.3980 139 D 4.2884 8.1475 118.9243 57.1438 40.6644 178.6206 140 L 3.9810 8.1418 119.9439 57.8811 41.6981 179.5243 141 I 3.4584 7.4942 119.5778 64.4862 36.7501 178.5524 142 Q 3.9387 7.4205 117.5462 58.8933 28.6307 178.6395 143 K 4.1400 8.1910 119.0837 58.9561 32.2921 178.5157 144 M 4.3579 8.4233 114.9403 54.0785 32.4440 177.2124 145 G 4.1080 7.5618 105.7403 45.9684 0.0000 174.3302 146 L 3.9528 8.4670 121.7642 58.0786 42.1483 179.3882 147 Q 4.0021 8.0751 117.3589 59.3243 28.8748 178.6638 148 N 4.3737 8.1471 116.7958 56.2829 38.3704 176.6880 149 Y 3.9847 8.0090 120.2270 60.5944 39.1568 177.8393 150 L 4.0680 8.3826 120.2183 58.0573 41.6845 179.1729 151 Q 3.9508 8.1145 119.0397 59.2733 28.6719 177.9755 152 A 4.1657 7.5493 118.9662 53.3785 18.7114 178.2063 153 Q 4.3190 7.8990 116.2502 55.3931 29.1562 177.5853 154 I 3.8385 7.3372 121.9596 63.9566 37.3729 176.6655 155 R 4.6011 7.5229 117.2485 54.0798 31.8309 176.0178 156 E 4.1385 8.3671 118.7141 55.9354 30.5298 175.8625 157 E 4.0748 8.5182 121.9849 55.3625 30.4181 176.5854 *158 G 3.7285 8.6060 114.1946 45.8867 0.0000 172.1490 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 4.20 0.00 1.45 1.78 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.49 4.01 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.71 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 4 D 8.48 4.56 0.00 2.77 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 5 T 8.88 3.87 4.25 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 1.18 0.00 0.00 6 K 8.18 3.87 0.00 1.72 1.92 0.00 1.42 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.86 1.06 7.81 7 V 8.59 3.90 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 1.13 0.00 0.00 1.21 0.00 0.00 8 I 7.71 3.74 2.05 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 1.55 0.69 0.92 0.00 0.00 9 N 8.23 4.25 0.00 2.59 2.67 0.00 0.00 7.07 6.90 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 10 Y 7.94 4.09 0.00 3.22 2.93 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 11 L 8.60 3.93 0.00 2.00 1.77 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.39 0.00 2.88 2.81 0.00 0.00 6.66 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 13 K 8.28 3.87 0.00 1.77 1.95 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.23 3.83 0.00 0.88 1.20 0.95 0.51 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 15 L 7.85 4.02 0.00 1.68 1.82 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.13 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 17 N 8.00 4.35 0.00 2.99 2.92 0.00 0.00 7.07 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 18 E 8.29 4.08 0.00 2.26 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 0.00 2.78 2.90 0.00 19 L 8.20 3.99 0.00 1.94 1.73 0.95 1.09 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 20 V 7.75 3.59 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 1.10 0.00 0.00 0.97 0.00 0.00 21 A 8.19 3.87 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.41 3.76 2.11 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 1.71 0.75 0.91 0.00 0.00 23 N 7.91 4.38 0.00 2.85 2.86 0.00 0.00 6.74 7.98 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 24 Q 8.30 3.84 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 25 Y 8.47 4.34 0.00 3.22 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 26 F 8.60 3.82 0.00 3.40 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 27 L 8.29 3.96 0.00 1.96 1.60 0.90 1.23 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 28 H 8.24 3.84 0.00 3.53 3.19 0.00 5.71 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 29 A 8.32 4.17 1.29 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 0.00 0.00 30 R 7.82 3.92 0.00 1.80 1.93 0.00 3.33 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.82 0.00 31 M 7.80 3.60 0.00 1.36 1.73 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 2.58 2.33 0.00 32 F 7.74 4.59 0.00 3.32 3.08 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 0.00 0.00 0.00 33 K 8.15 3.94 0.00 2.09 1.95 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 N 8.07 4.30 0.00 2.73 2.77 0.00 0.00 7.32 7.67 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 35 F 8.25 4.77 0.00 3.32 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 36 G 8.09 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 0.00 0.00 0.00 37 L 8.07 4.48 0.00 2.12 1.63 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.82 0.00 2.04 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.28 3.93 0.00 2.10 1.98 0.00 3.49 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.89 4.11 0.00 1.69 1.02 1.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.56 0.00 3.10 3.01 0.00 0.00 7.24 8.49 0.00 0.00 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 D 8.05 4.31 0.00 2.88 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 43 V 7.61 3.36 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 -0.65 0.00 0.00 0.78 0.00 0.00 44 E 8.37 3.84 0.00 2.31 2.34 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 2.60 3.15 0.00 45 Y 8.19 3.82 0.00 2.93 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 46 H 8.31 4.21 0.00 3.23 3.23 0.00 5.66 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 47 E 7.48 3.76 0.00 1.52 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 0.00 0.00 0.00 1.47 1.85 0.00 48 S 7.82 4.07 0.00 3.89 3.85 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 49 I 7.32 3.55 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.63 0.84 0.00 0.00 50 D 7.48 4.20 0.00 2.88 2.60 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 51 E 8.13 4.08 0.00 2.24 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 0.00 2.67 2.82 0.00 52 M 8.02 4.05 0.00 2.04 2.24 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 2.81 2.56 0.00 53 K 8.06 3.88 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.01 4.10 0.00 3.56 3.34 0.00 5.65 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 55 A 8.33 4.24 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 56 D 8.41 4.31 0.00 2.88 2.86 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 57 R 7.87 3.89 0.00 1.82 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 58 Y 7.91 4.30 0.00 3.23 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 59 I 8.26 3.80 2.05 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 1.58 0.87 0.95 0.00 0.00 60 E 8.45 4.08 0.00 2.04 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 2.63 0.00 61 R 8.16 4.04 0.00 2.14 2.22 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.49 3.77 1.94 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 1.58 0.70 0.96 0.00 0.00 63 L 8.08 4.05 0.00 2.11 1.80 0.95 1.04 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 64 F 8.18 4.41 0.00 3.01 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 65 L 8.17 4.52 0.00 1.70 1.60 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.86 0.00 2.08 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 2.17 2.28 0.00 67 G 8.22 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 0.00 0.00 0.00 68 L 8.00 4.52 0.00 1.60 1.63 0.92 0.98 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 69 P 0.00 4.37 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.48 4.72 0.00 2.59 2.80 0.00 0.00 7.08 7.64 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 71 L 8.33 4.64 0.00 1.63 1.64 0.94 0.97 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 72 Q 8.58 4.15 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.67 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.60 0.00 1.52 1.50 0.91 1.10 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 75 G 8.44 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 76 K 8.32 4.09 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.36 4.11 0.00 1.64 1.55 0.90 0.97 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 78 N 8.86 4.83 0.00 2.62 2.68 0.00 0.00 7.18 7.25 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 79 I 8.58 3.93 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.93 0.00 0.00 80 G 8.13 4.18 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 0.00 81 E 8.67 4.58 0.00 1.98 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 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.44 3.97 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 1.24 0.00 0.00 1.22 0.00 0.00 84 E 8.20 3.84 0.00 2.01 1.91 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 2.32 2.26 0.00 85 E 8.38 3.97 0.00 2.29 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 0.00 2.33 2.34 0.00 86 M 8.26 4.08 0.00 2.22 1.78 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.90 0.00 87 L 8.46 4.15 0.00 2.02 1.77 1.29 0.61 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 88 R 8.43 3.90 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.15 4.09 0.00 4.06 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 90 D 8.16 4.22 0.00 3.12 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 91 L 8.22 3.97 0.00 1.82 1.89 0.98 0.86 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 92 A 8.24 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 93 L 7.88 3.94 0.00 1.87 1.81 0.90 0.54 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 94 E 8.27 4.06 0.00 2.47 2.18 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 2.50 2.53 0.00 95 L 8.22 4.03 0.00 2.08 1.73 0.96 1.13 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 96 D 8.35 4.53 0.00 2.85 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 97 G 8.34 3.64 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 0.00 0.00 0.00 98 A 8.44 4.08 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 99 K 7.96 3.86 0.00 2.05 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.07 4.43 0.00 2.88 2.91 0.00 0.00 7.11 6.08 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 0.00 101 L 8.05 3.98 0.00 2.02 1.74 0.98 0.84 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 0.00 102 R 8.19 3.90 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.10 3.86 0.00 2.18 2.10 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 2.35 2.38 0.00 104 A 7.97 2.81 1.08 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 0.00 0.00 0.00 0.00 0.00 105 I 8.05 3.72 2.02 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 1.46 0.82 0.91 0.00 0.00 106 G 7.63 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 0.00 107 Y 7.67 4.11 0.00 3.08 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 0.00 108 A 8.22 3.81 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 0.00 109 D 7.92 4.08 0.00 2.86 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 0.00 110 S 7.51 4.17 0.00 3.97 3.88 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 0.00 111 V 6.85 4.00 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 0.49 0.00 0.00 0.62 0.00 0.00 112 H 7.13 2.75 0.00 3.14 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.56 0.00 2.64 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 0.00 114 Y 7.47 4.32 0.00 3.10 2.93 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 0.00 115 V 7.90 3.73 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 0.93 0.00 0.00 0.98 0.00 0.00 116 S 8.37 4.17 0.00 4.19 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 0.00 117 R 8.03 3.88 0.00 1.91 2.22 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.43 4.31 0.00 2.98 2.83 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 0.00 119 M 8.16 3.96 0.00 2.27 2.04 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 2.48 2.47 0.00 120 M 8.24 4.16 0.00 2.16 2.27 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 2.93 2.81 0.00 121 I 8.27 3.73 2.00 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 0.96 0.91 0.00 0.00 122 E 8.13 3.97 0.00 2.17 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 2.32 2.34 0.00 123 I 7.62 3.55 1.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.72 0.00 0.00 124 L 8.15 3.92 0.00 1.85 1.85 0.95 1.17 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 0.00 125 R 8.04 3.89 0.00 2.01 2.14 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 8.09 4.34 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.95 0.00 2.13 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 0.00 2.61 2.55 0.00 128 E 8.83 4.15 0.00 2.10 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 2.37 2.37 0.00 129 G 8.09 3.73 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 0.00 130 H 8.08 4.43 0.00 3.54 3.56 0.00 5.66 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 0.00 131 I 8.29 3.81 2.10 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 0.87 0.97 0.00 0.00 132 D 8.45 4.39 0.00 2.91 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 0.00 133 W 8.38 4.14 0.00 3.54 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 3.75 0.00 2.11 1.76 1.38 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.53 3.93 0.00 2.11 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 2.33 2.52 0.00 136 T 7.87 3.78 4.21 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 1.16 0.00 0.00 137 E 7.66 3.76 0.00 1.57 1.65 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 1.47 1.47 0.00 138 L 7.70 3.77 0.00 1.73 1.61 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.15 4.29 0.00 2.76 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 0.00 140 L 8.14 3.98 0.00 1.87 1.85 0.95 0.73 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 0.00 141 I 7.49 3.46 1.71 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 -0.03 -0.00 0.72 0.00 0.00 142 Q 7.42 3.94 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 8.19 4.14 0.00 1.69 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 144 M 8.42 4.36 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 145 G 7.56 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 0.00 0.00 0.00 0.00 146 L 8.47 3.95 0.00 1.75 1.68 0.95 0.73 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 0.00 147 Q 8.08 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.37 0.00 2.97 2.88 0.00 0.00 6.68 7.48 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 0.00 149 Y 8.01 3.98 0.00 3.00 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 0.00 150 L 8.38 4.07 0.00 2.04 1.70 1.06 0.76 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 0.00 151 Q 8.11 3.95 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.55 4.17 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 0.00 153 Q 7.90 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 154 I 7.34 3.84 1.97 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 1.30 0.44 0.90 0.00 0.00 155 R 7.52 4.60 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.37 4.14 0.00 2.08 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 0.00 2.26 2.28 0.00 157 E 8.52 4.07 0.00 1.95 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 2.26 2.30 0.00 *158 G 8.61 3.73 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 * Residues marked with a * may have inaccurate shift predictions.