NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1839 8.1627 120.2779 54.6877 33.2383 173.9973 2 K 3.9582 8.5352 128.2619 56.2995 32.7059 175.0713 3 G 4.0095 8.5962 116.1051 44.8678 0.0000 171.3953 4 D 4.6782 8.4292 119.2420 54.0270 42.0572 177.1814 5 T 3.8530 8.9132 123.0342 66.9594 68.5702 176.5749 6 K 3.8002 8.1430 120.7169 59.0530 32.1866 178.8720 7 V 3.8705 8.4599 118.8601 66.2358 31.4499 177.9436 8 I 3.7762 7.7438 119.3791 64.5223 36.9257 178.0911 9 N 4.2345 8.3121 117.2404 56.4808 38.3773 177.0207 10 Y 4.0723 7.9841 117.9157 61.1223 38.0509 178.4143 11 L 3.8558 8.5720 120.1477 58.1820 41.6960 179.5707 12 N 4.3421 8.4685 116.4572 56.0012 38.4297 177.4715 13 K 3.8620 7.9637 121.0671 59.3894 32.3328 178.8478 14 L 3.8132 8.2374 119.5692 57.6783 41.4888 179.0353 15 L 4.0186 7.8561 120.6425 58.2539 41.8817 179.3019 16 G 3.6129 8.1595 105.6193 47.8914 0.0000 175.3816 17 N 4.3809 8.0400 118.9742 56.0617 38.5067 177.2895 18 E 4.1080 8.2929 120.1953 59.2929 29.1909 179.0181 19 L 4.3150 8.0568 118.7002 57.2407 40.7965 179.4112 20 V 3.6039 7.7048 120.5217 64.8148 31.4624 178.0068 21 A 3.9084 8.0664 121.7122 54.8703 18.2206 179.3967 22 I 3.7606 8.2093 118.6152 64.9576 37.1939 178.4492 23 N 4.4239 7.9030 116.2879 56.2801 38.3166 177.4501 24 Q 3.8405 8.3803 121.2948 59.3536 29.0810 177.7938 25 Y 4.2829 8.5163 118.2642 60.9573 37.9958 178.3085 26 F 3.8934 8.4861 121.7208 61.0284 39.6067 176.8854 27 L 3.9385 8.2419 120.0455 58.5922 41.8772 178.3395 28 H 3.7801 8.2966 116.1102 58.9230 28.6857 177.2738 29 A 4.1523 8.1144 122.2703 55.5092 18.2527 179.6711 30 R 3.9479 7.5965 114.8462 58.1745 30.2559 179.1745 31 M 3.4380 7.5199 119.2853 58.1156 31.8999 178.4128 32 F 4.5978 7.4388 117.9341 60.6183 39.1309 177.6787 33 K 3.9485 8.1606 119.1260 59.4499 31.7778 178.2444 34 N 4.2802 7.7303 116.1168 56.5792 39.0085 176.4033 35 W 4.7531 7.8526 117.2896 57.4942 29.1551 177.2407 36 G 3.9901 8.3429 108.1942 46.1194 0.0000 174.2369 37 L 4.6785 7.9069 121.9001 52.7054 38.1734 177.0169 38 K 3.8180 7.9823 122.8924 59.9965 32.6383 177.3929 39 R 3.9877 8.3424 118.8367 59.0475 29.9568 178.3814 40 L 4.1380 7.8518 118.7137 57.2568 41.5102 178.8218 41 N 4.5481 8.1632 116.7136 56.8310 39.0509 176.2999 42 D 4.3766 8.0322 120.2983 57.5718 40.9481 179.2578 43 V 3.3496 7.6152 118.1072 65.8783 31.5180 177.7522 44 E 3.8460 8.3871 119.2391 59.1538 29.5269 177.9703 45 Y 3.9800 8.4245 120.1783 61.0702 38.8879 177.7126 46 H 3.9696 8.2802 118.9728 59.2199 29.8576 177.0424 47 E 3.5570 7.7307 120.4463 58.6143 29.1165 178.8811 48 S 4.0461 7.6173 113.4309 61.5388 62.3939 176.3562 49 I 3.5066 7.1651 122.1014 64.2996 36.7906 177.9520 50 D 4.1737 7.6772 119.5738 57.6143 40.6236 178.8538 51 E 4.0048 8.0855 118.7205 59.7109 29.3709 179.4857 52 M 4.0447 7.9205 118.7143 58.3091 32.0276 178.8626 53 K 3.9475 7.9939 118.6307 59.6418 32.1762 179.0415 54 H 4.0814 8.2270 116.1622 58.8159 28.6125 177.4813 55 A 4.2223 8.2450 122.6101 55.4209 18.2494 178.9111 56 D 4.3002 8.4710 116.7863 57.7130 41.2061 178.8138 57 R 3.8584 7.9123 118.1921 59.4748 30.0532 178.4989 58 Y 4.3455 7.6877 116.3156 61.3413 37.9284 178.9050 59 I 3.7685 8.1418 120.7022 64.6921 37.2546 178.4701 60 E 4.0645 8.3693 119.2772 59.0849 29.1579 179.5255 61 R 4.0340 8.1042 118.9503 59.4970 30.1869 178.3223 62 I 3.7629 8.4581 119.9789 64.6734 37.1425 178.3905 63 L 4.0145 8.1499 119.5434 57.7835 41.2216 179.3947 64 F 4.3501 8.1594 119.6836 61.1458 39.7094 176.4329 65 L 4.3478 8.1465 117.9522 53.8734 41.2182 177.1071 66 E 3.8495 8.0359 117.6685 57.4442 27.0368 174.4625 67 G 3.9536 8.1300 108.0399 43.9980 0.0000 173.6854 68 L 4.5242 8.0160 118.9949 52.0276 42.0917 175.2343 69 P 4.4180 0.0000 0.0000 62.4737 31.7763 175.8109 70 N 4.7445 9.5949 122.2881 52.3463 39.0497 173.8978 71 L 4.6503 8.2778 124.2961 54.6524 42.5743 177.9738 72 Q 4.0871 8.5657 119.8388 58.7423 28.8276 176.4503 73 D 4.6617 8.0484 116.5767 53.0043 41.8832 175.4206 74 L 4.6123 8.2628 125.3036 52.7048 44.2641 176.3494 75 G 3.7994 8.4838 114.9596 44.6379 0.0000 172.3152 76 K 4.0189 8.3124 120.6680 56.0186 32.2970 176.2590 77 L 4.0821 8.4128 127.0431 54.3619 42.2372 176.0324 78 N 4.7817 8.7896 122.1928 51.9164 39.5648 173.2218 79 I 4.3572 8.1705 126.5659 59.5826 38.7576 176.6152 80 G 4.0405 8.6147 114.0844 44.9701 0.0000 172.7555 81 E 4.6631 8.7945 116.8995 56.4975 31.0100 176.4808 82 D 4.9726 7.6659 117.6092 50.2605 44.0375 176.0211 83 V 4.0449 8.5590 119.5633 66.7193 31.3852 177.6174 84 E 3.8140 8.1986 117.9057 59.4466 29.5930 177.9728 85 E 3.9917 8.5463 119.4156 59.6529 29.5816 178.9009 86 M 4.0789 8.5563 117.2420 58.3284 31.4295 178.5034 87 L 4.1159 8.5565 120.6893 57.6098 41.8463 179.5324 88 R 3.9080 8.6443 118.8648 59.3493 30.0583 178.5771 89 S 4.1055 8.1863 113.1481 61.3696 62.3294 175.8099 90 D 4.2244 8.1649 121.7012 57.1003 40.4568 178.4363 91 L 3.9855 8.1645 120.5997 58.3446 42.1797 178.9919 92 A 3.9839 7.9791 120.4957 54.9641 18.2194 179.4266 93 L 3.9431 7.8609 118.6358 58.1782 42.0955 178.9229 94 E 4.0638 8.5301 118.9023 59.5059 29.4732 179.2822 95 L 4.0290 8.2173 119.1364 58.0216 41.7950 179.4228 96 D 4.4871 8.3433 118.8820 57.3214 40.7816 179.0409 97 G 3.6804 8.3534 106.0685 47.7243 0.0000 175.6061 98 A 4.0502 8.4332 123.4613 54.6707 18.5249 179.4562 99 K 3.8271 8.0913 118.1769 59.9925 32.2949 178.7011 100 N 4.4152 8.0983 116.2848 56.2515 38.3412 177.4510 101 L 3.9903 8.0914 120.3621 57.8102 41.8097 179.5656 102 R 3.9056 8.1223 118.0398 59.4241 30.0917 178.9797 103 E 3.9133 8.0434 117.4120 59.4142 29.5084 179.3202 104 A 2.8143 7.7627 120.6867 54.7124 18.3515 179.7940 105 I 3.7297 7.9381 118.6643 64.4758 36.9718 178.9172 106 G 3.5959 7.6419 104.9439 47.7952 0.0000 174.9128 107 Y 4.0525 7.9106 121.5110 60.3639 38.8390 177.4469 108 A 3.8155 8.3572 122.1765 55.4977 18.5213 179.1242 109 D 4.0358 7.9075 116.3187 57.2468 41.0919 178.2850 110 S 4.1811 7.4595 113.0679 59.9218 63.3333 175.6856 111 V 3.9282 6.7880 114.2052 60.7496 31.5796 175.4763 112 H 2.9521 6.9106 113.4664 56.8297 26.9644 176.4371 113 D 4.5269 7.3869 121.4239 53.3318 37.8133 176.1474 114 Y 4.3136 7.4182 121.5423 60.5297 38.3587 178.1598 115 V 3.7289 7.8707 119.9267 64.6402 31.7649 178.3357 116 S 4.1584 8.2655 115.5950 61.5424 62.6512 176.6450 117 R 3.8841 8.0899 121.1324 59.4694 29.8989 178.0723 118 D 4.2904 8.3660 118.0177 57.4887 41.2722 177.6437 119 M 3.9732 8.3095 119.0476 59.2320 32.1104 178.2023 120 M 4.1512 8.3271 118.8500 58.3515 32.1079 178.8426 121 I 3.7307 8.1340 120.4353 64.2330 37.3472 178.2922 122 E 3.9605 8.0896 119.1393 59.5012 29.3322 179.4317 123 I 3.5723 7.6363 119.7809 64.2767 37.0555 178.2441 124 L 3.9698 8.1693 121.5107 58.1010 41.9875 178.9530 125 R 3.8939 8.0968 118.7023 59.5355 29.9865 178.2589 126 D 4.3475 7.9436 118.3552 57.2728 40.8025 178.6739 127 E 3.9183 8.1928 119.0884 59.4259 29.4611 178.6828 128 E 4.1078 8.5892 119.8955 59.4377 29.5192 179.2224 129 G 3.6451 7.9069 104.9361 48.2218 0.0000 175.3114 130 H 4.4341 8.1179 119.1340 58.5991 28.6674 177.8706 131 I 3.8156 8.4265 121.9010 64.5787 37.0112 177.7482 132 D 4.3781 8.4156 118.9284 57.1940 40.9225 178.1525 133 W 4.1310 8.5329 128.5897 60.5153 30.7245 177.5368 134 L 3.6864 8.2627 118.8379 58.0964 41.1925 179.4320 135 E 3.9051 8.3680 118.1940 59.8407 29.3190 179.7718 136 T 3.8075 7.8087 115.4985 66.5353 68.5209 176.5930 137 E 3.7757 7.7397 120.4881 59.3861 28.9767 179.3917 138 L 3.7636 7.8397 119.0812 57.9733 41.5931 179.4579 139 D 4.3164 8.1155 118.6901 57.2198 40.6133 178.8144 140 L 3.9748 8.0494 119.8985 57.7297 41.6688 179.4811 141 I 3.3808 7.4865 119.8117 64.3700 36.7248 178.2839 142 Q 3.9303 7.4077 118.6594 58.8941 28.9441 178.0139 143 K 4.1274 8.0455 119.2059 59.1178 32.3172 178.4709 144 M 4.3786 8.3073 114.5148 54.1602 32.3831 177.3570 145 G 4.0790 7.5380 104.8802 45.8192 0.0000 174.4365 146 L 3.9880 8.3459 120.5627 57.9824 42.1141 179.1835 147 Q 3.9995 8.0353 117.5100 59.2525 28.7828 178.5544 148 N 4.3394 8.1356 116.8740 56.2783 38.3912 176.5929 149 Y 3.9800 7.8669 120.0879 60.6960 39.1033 178.0066 150 L 4.0770 8.3528 120.1059 57.9715 41.6596 179.2298 151 Q 3.9032 8.2389 119.2133 59.1354 28.7132 177.8631 152 A 4.1386 7.7202 119.5840 53.5070 18.6472 178.2223 153 Q 4.3260 7.8598 116.1122 55.6237 29.2029 177.5280 154 I 3.9385 7.4253 121.2017 62.5989 37.4373 176.3372 155 R 4.5937 7.5402 119.7013 53.6468 32.2044 174.7808 156 E 4.0489 8.6338 123.4409 56.0330 30.3003 175.9819 157 E 3.9531 8.5980 123.4797 55.7413 30.3564 176.6007 *158 G 3.7299 8.6116 114.1636 45.8899 0.0000 172.1840 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 4.18 0.00 1.44 1.86 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.54 3.96 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.60 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 4 D 8.43 4.68 0.00 2.78 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 0.00 0.00 0.00 0.00 5 T 8.91 3.85 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 1.18 0.00 0.00 6 K 8.14 3.80 0.00 1.67 1.73 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.31 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.84 1.03 7.81 7 V 8.46 3.87 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 1.12 0.00 0.00 1.18 0.00 0.00 8 I 7.74 3.78 2.03 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 1.55 0.71 0.91 0.00 0.00 9 N 8.31 4.23 0.00 2.72 2.58 0.00 0.00 7.03 7.00 0.00 0.00 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 7.98 4.07 0.00 3.31 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 11 L 8.57 3.86 0.00 2.00 1.78 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.47 4.34 0.00 2.77 2.81 0.00 0.00 6.70 8.06 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 13 K 7.96 3.86 0.00 1.77 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.24 3.81 0.00 1.07 1.17 0.92 0.48 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 15 L 7.86 4.02 0.00 1.67 1.85 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.16 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 17 N 8.04 4.38 0.00 2.97 2.92 0.00 0.00 7.05 7.76 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 18 E 8.29 4.11 0.00 2.32 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 2.80 2.86 0.00 19 L 8.06 4.31 0.00 1.90 1.94 1.00 0.99 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 20 V 7.70 3.60 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 0.93 0.00 0.00 0.96 0.00 0.00 21 A 8.07 3.91 1.55 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 22 I 8.21 3.76 2.05 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 1.55 0.85 0.90 0.00 0.00 23 N 7.90 4.42 0.00 2.91 2.87 0.00 0.00 6.72 7.83 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 24 Q 8.38 3.84 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 25 Y 8.52 4.28 0.00 3.25 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 26 F 8.49 3.89 0.00 3.45 3.14 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 27 L 8.24 3.94 0.00 1.95 1.59 0.88 0.85 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 28 H 8.30 3.78 0.00 3.44 3.23 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 8.11 4.15 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 30 R 7.60 3.95 0.00 1.73 1.85 0.00 3.19 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.57 0.00 31 M 7.52 3.44 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 F 7.44 4.60 0.00 3.33 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 8.16 3.95 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.73 4.28 0.00 2.71 2.67 0.00 0.00 7.32 7.94 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 35 W 7.85 4.75 0.00 3.75 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 36 G 8.34 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 37 L 7.91 4.68 0.00 2.15 1.66 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.98 3.82 0.00 2.02 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.34 3.99 0.00 2.09 1.99 0.00 3.49 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.85 4.14 0.00 1.73 1.10 1.06 -0.05 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 8.16 4.55 0.00 3.15 3.01 0.00 0.00 7.22 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 8.03 4.38 0.00 2.73 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 43 V 7.62 3.35 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 -0.63 0.00 0.00 0.66 0.00 0.00 44 E 8.39 3.85 0.00 2.55 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 2.81 2.77 0.00 45 Y 8.42 3.98 0.00 3.02 3.14 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 46 H 8.28 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.73 3.56 0.00 1.17 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 1.95 2.09 0.00 48 S 7.62 4.05 0.00 3.92 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 7.17 3.51 1.71 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 0.95 0.53 0.78 0.00 0.00 50 D 7.68 4.17 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.09 4.00 0.00 2.28 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 2.54 2.60 0.00 52 M 7.92 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.99 3.95 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.23 4.08 0.00 3.52 3.43 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 8.24 4.22 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 56 D 8.47 4.30 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 57 R 7.91 3.86 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 58 Y 7.69 4.35 0.00 3.23 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 59 I 8.14 3.77 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 0.95 0.00 0.00 60 E 8.37 4.06 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 8.10 4.03 0.00 2.12 2.24 0.00 3.37 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 1.75 1.86 0.00 62 I 8.46 3.76 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.99 0.00 0.00 63 L 8.15 4.01 0.00 2.10 1.80 0.95 0.95 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 64 F 8.16 4.35 0.00 3.02 3.36 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 65 L 8.15 4.35 0.00 1.81 1.62 0.99 0.62 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 8.04 3.85 0.00 2.06 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 2.15 2.25 0.00 67 G 8.13 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 68 L 8.02 4.52 0.00 1.62 1.62 0.92 0.99 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 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 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 2.11 0.00 70 N 9.59 4.74 0.00 2.59 2.81 0.00 0.00 7.10 8.26 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 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.57 4.09 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.05 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.26 4.61 0.00 1.52 1.50 0.92 1.06 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 75 G 8.48 3.80 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 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.41 4.08 0.00 1.64 1.56 0.90 0.98 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 78 N 8.79 4.78 0.00 2.63 2.71 0.00 0.00 7.16 8.08 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 79 I 8.17 4.36 1.87 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 1.32 0.53 0.93 0.00 0.00 80 G 8.61 4.04 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 0.00 0.00 0.00 81 E 8.79 4.66 0.00 2.01 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 2.30 2.33 0.00 82 D 7.67 4.97 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 83 V 8.56 4.04 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 1.11 0.00 0.00 1.25 0.00 0.00 84 E 8.20 3.81 0.00 2.02 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 2.33 2.27 0.00 85 E 8.55 3.99 0.00 2.23 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 2.35 2.36 0.00 86 M 8.56 4.08 0.00 2.18 1.75 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.97 0.00 87 L 8.56 4.12 0.00 1.99 1.77 1.27 0.86 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 88 R 8.64 3.91 0.00 2.09 1.94 0.00 3.09 0.00 0.00 3.08 7.59 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 8.19 4.11 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 3.05 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 91 L 8.16 3.99 0.00 1.81 1.87 0.98 0.98 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 7.98 3.98 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 93 L 7.86 3.94 0.00 1.88 1.82 0.91 0.64 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 94 E 8.53 4.06 0.00 2.27 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 2.63 2.72 0.00 95 L 8.22 4.03 0.00 2.02 1.75 0.96 1.41 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 96 D 8.34 4.49 0.00 2.92 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 8.35 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 98 A 8.43 4.05 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 99 K 8.09 3.83 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.10 4.42 0.00 3.02 2.90 0.00 0.00 7.11 6.42 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 0.00 101 L 8.09 3.99 0.00 1.99 1.73 0.98 0.82 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 0.00 102 R 8.12 3.91 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 103 E 8.04 3.91 0.00 2.20 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 2.38 2.35 0.00 104 A 7.76 2.81 0.98 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 0.00 105 I 7.94 3.73 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 0.97 0.91 0.00 0.00 106 G 7.64 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 7.91 4.05 0.00 3.18 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 0.00 108 A 8.36 3.82 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 0.00 109 D 7.91 4.04 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 0.00 110 S 7.46 4.18 0.00 3.95 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 0.00 111 V 6.79 3.93 1.94 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 0.53 0.00 0.00 0.70 0.00 0.00 112 H 6.91 2.95 0.00 3.21 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 4.53 0.00 2.62 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.31 0.00 3.11 2.96 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 0.00 0.00 0.00 115 V 7.87 3.73 2.13 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 1.05 0.00 0.00 0.97 0.00 0.00 116 S 8.27 4.16 0.00 4.15 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 8.09 3.88 0.00 1.89 2.16 0.00 3.34 0.00 0.00 3.20 7.56 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 8.37 4.29 0.00 2.94 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 0.00 119 M 8.31 3.97 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 120 M 8.33 4.15 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.79 0.00 121 I 8.13 3.73 2.01 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 1.04 0.92 0.00 0.00 122 E 8.09 3.96 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 7.64 3.57 1.94 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.73 0.00 0.00 124 L 8.17 3.97 0.00 1.85 1.83 0.95 0.92 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 0.00 125 R 8.10 3.89 0.00 2.06 2.12 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.94 4.35 0.00 3.04 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 0.00 127 E 8.19 3.92 0.00 2.17 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 2.58 2.52 0.00 128 E 8.59 4.11 0.00 2.31 2.13 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 2.34 2.43 0.00 129 G 7.91 3.65 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 0.00 0.00 0.00 130 H 8.12 4.43 0.00 3.63 3.60 0.00 5.65 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 8.43 3.82 2.11 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 0.85 0.97 0.00 0.00 132 D 8.42 4.38 0.00 2.93 2.96 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 0.00 0.00 0.00 133 W 8.53 4.13 0.00 3.54 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 0.00 134 L 8.26 3.69 0.00 2.01 1.75 1.20 1.18 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 0.00 135 E 8.37 3.91 0.00 2.13 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 2.50 0.00 136 T 7.81 3.81 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 1.18 0.00 0.00 137 E 7.74 3.78 0.00 1.51 1.67 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 0.00 1.47 1.47 0.00 138 L 7.84 3.76 0.00 1.75 1.61 0.88 1.20 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 0.00 139 D 8.12 4.32 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 140 L 8.05 3.97 0.00 1.89 1.84 0.97 1.06 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 0.00 141 I 7.49 3.38 1.70 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.69 0.00 0.00 142 Q 7.41 3.93 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.05 4.13 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.31 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.54 4.08 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 0.00 146 L 8.35 3.99 0.00 1.74 1.66 0.95 0.68 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 8.04 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.14 4.34 0.00 2.96 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 7.87 3.98 0.00 3.06 3.20 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 0.00 150 L 8.35 4.08 0.00 2.06 1.70 1.06 0.77 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 0.00 151 Q 8.24 3.90 0.00 2.10 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 2.37 0.00 152 A 7.72 4.14 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 0.00 153 Q 7.86 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.43 3.94 2.01 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 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.59 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.63 4.05 0.00 2.13 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 2.26 2.28 0.00 157 E 8.60 3.95 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 2.29 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.