NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5787 8.3493 120.3241 53.1886 39.6530 173.9670 12 Y 4.5935 7.6493 124.5015 54.1931 40.7985 174.6323 13 L 3.9416 9.0137 124.9126 54.9472 43.8849 178.4661 14 E 4.2436 8.2149 124.2919 55.0261 31.7304 177.9830 15 W 4.2323 8.5670 120.5503 59.7854 29.1900 176.9288 16 P 4.5473 0.0000 0.0000 65.9082 30.8358 178.4068 17 E 4.1418 8.4444 116.7801 59.5517 29.3155 178.6173 18 Y 4.0055 8.1846 119.6225 60.8900 38.9212 178.3263 19 F 4.0277 7.8488 118.7857 60.5752 38.8590 177.4599 20 M 4.0441 7.8342 117.7338 58.2868 31.8817 178.0603 21 A 3.9389 8.1841 121.5200 55.2166 18.5718 179.7243 22 V 3.4576 7.8459 116.7649 65.9604 31.5091 178.1438 23 A 4.0432 8.0096 120.4381 55.2923 17.7533 179.6999 24 F 3.9179 8.6130 116.3943 60.3782 38.9653 177.5981 25 L 4.0119 8.4797 120.5010 58.4970 41.9356 179.2824 26 S 4.1485 8.3115 114.6704 61.4972 62.6853 176.3622 27 A 4.2020 7.7217 122.5563 55.3863 17.8155 179.2416 28 Q 4.0538 7.8819 114.5132 57.8681 28.9334 178.2745 29 R 3.7397 7.4202 118.6806 57.2548 30.3033 176.9798 30 S 4.2659 7.2096 113.9858 58.2868 62.8018 173.7818 31 K 4.1596 8.4296 125.1161 56.0133 32.3612 176.0786 32 D 3.3700 7.3291 120.5392 52.8562 41.1655 174.5986 33 P 4.2146 0.0000 0.0000 64.6002 31.7881 176.6520 34 N 4.7432 8.3867 115.6034 53.7472 40.1827 175.2056 35 S 4.5119 7.9389 111.6617 56.6961 65.2155 172.6229 36 Q 4.7558 8.7063 126.3118 54.0464 31.3068 174.8853 37 V 4.4588 9.2908 122.7729 61.0568 34.2384 174.3860 38 G 5.0989 8.5923 111.6269 43.8173 0.0000 170.7744 39 A 5.2069 8.7391 120.3493 50.7734 23.3776 175.0286 40 C 5.1368 9.1584 120.3439 57.7307 35.3923 172.6708 41 I 4.9756 9.1482 127.1039 59.5995 39.5862 174.8020 42 V 4.6988 8.6702 126.1641 61.0567 35.2147 174.9231 43 N 4.9914 8.4038 125.2362 51.4387 39.4781 175.9058 44 S 4.1618 8.6070 112.4156 60.8029 63.1633 174.6493 45 E 4.2343 8.1774 119.0779 55.7973 29.2686 175.6246 46 N 3.9302 7.5958 114.8690 54.0093 36.7225 174.1965 47 K 4.4150 8.0169 117.1905 55.1376 33.3308 176.6119 48 I 4.2273 8.4109 124.3399 61.6117 37.4644 176.0373 49 V 4.3073 8.8430 118.8683 61.9612 33.7556 176.4803 50 G 4.3089 7.7052 105.6561 45.0367 0.0000 172.2421 51 I 5.2638 8.4449 122.7354 59.4149 41.5738 174.6113 52 G 4.3733 9.1890 111.5718 45.1820 0.0000 170.9360 53 Y 5.9642 7.8575 117.7265 54.1279 41.4352 174.3456 54 N 4.7849 9.1210 118.2754 53.0708 38.5893 174.7847 55 G 4.3211 8.2081 106.3926 47.0770 0.0000 171.9195 56 M 4.7928 8.9233 118.9853 53.5208 33.4871 175.0901 57 P 4.3754 0.0000 0.0000 62.3087 32.2100 175.8214 58 N 4.4243 8.5120 117.3433 55.3295 38.6743 175.9704 59 G 3.9984 9.0034 110.2551 45.7786 0.0000 173.2489 60 C 4.8039 7.6195 118.8332 61.1840 29.9844 175.1928 61 S 3.8573 7.3370 109.6300 60.8380 59.2131 173.6794 62 D 4.5571 8.1208 127.9346 54.8220 41.1873 177.3528 63 D 4.9313 8.4148 115.2592 53.0931 37.9756 177.3759 64 V 3.8818 7.4988 118.0499 65.7610 32.1031 176.4126 65 L 4.0195 6.8087 118.3181 52.7392 42.1647 174.8418 66 P 4.3520 0.0000 0.0000 62.6586 31.9976 176.8840 67 W 4.7205 8.4698 119.2767 56.5884 30.4380 176.8725 68 R 4.2550 7.7937 115.8415 56.1755 29.6802 177.4780 69 R 4.4096 8.5509 118.2512 57.5457 31.0240 176.9231 70 T 4.7086 7.4469 105.5769 59.9744 71.6714 172.3687 71 A 4.3656 8.2087 124.1764 51.5588 21.8628 175.9427 72 E 4.0618 9.0290 120.0329 59.0076 29.7395 176.4632 73 N 5.1880 7.7036 114.4517 50.0968 40.5676 175.1846 74 K 4.0299 8.5795 118.1632 59.9159 32.6426 178.9523 75 L 4.0328 7.9223 118.1227 56.9786 41.5973 177.1606 76 D 4.7113 8.1176 117.1744 54.3868 41.1937 176.1794 77 T 4.7261 7.7007 110.3857 59.5326 71.0495 174.9638 78 K 4.3522 8.2067 119.6910 58.5973 33.0081 179.0772 79 Y 4.1133 7.1634 116.4089 60.5647 37.7810 175.7074 80 P 4.1930 0.0000 0.0000 64.1453 31.5512 176.3556 81 Y 4.6652 7.3171 114.7466 58.3232 40.1637 176.7185 82 V 4.0795 7.6053 118.1054 61.6799 32.8810 175.4811 83 C 4.8167 9.3716 121.0747 58.2823 30.6003 173.5217 84 H 4.8056 8.7444 120.0712 55.4641 29.6255 176.1744 85 A 3.8756 8.9675 122.6620 55.6991 17.7007 180.0855 86 E 3.8993 8.1601 116.2367 59.4119 29.5790 179.0306 87 L 3.9624 7.9331 119.7459 58.4547 42.1576 178.7190 88 N 4.2510 8.1560 116.0377 56.0678 38.2041 177.1327 89 A 4.1557 8.0703 122.9948 54.6614 18.8211 179.5265 90 I 3.8106 7.6452 117.8563 64.8724 37.0521 178.5668 91 M 4.3051 8.0263 117.4863 57.3793 31.8793 177.4755 92 N 4.6814 7.7903 115.1010 53.0773 39.2652 174.0041 93 K 3.9954 7.3934 119.1166 56.2093 36.2178 172.6700 *97 D 4.4407 8.4302 118.8922 53.7960 40.1513 175.1823 98 V 4.3042 7.8336 109.0011 60.9260 31.9357 175.8800 99 K 4.1752 7.7200 120.9146 57.8659 32.0302 177.6062 100 G 3.8492 9.0367 112.3289 45.5038 0.0000 172.7507 101 C 4.6423 7.6002 118.0007 58.6719 30.6847 172.4644 102 S 5.0950 8.9875 115.8024 57.0125 66.0100 173.1299 103 M 5.0125 9.0198 123.4900 54.0606 34.7388 173.8974 104 Y 4.9482 9.3218 124.5633 56.8950 39.8137 175.1264 105 V 4.8501 8.9392 117.5674 59.4459 35.7283 176.6852 106 A 4.1392 8.3860 126.6146 54.7908 18.8357 177.0475 107 L 5.2333 7.6928 115.5221 52.7340 44.7374 175.5232 108 F 3.9386 8.9374 127.9147 58.0120 39.6023 173.4898 109 P 4.6175 0.0000 0.0000 61.7555 31.9960 176.4496 110 C 4.5002 8.3597 116.7933 57.7336 31.9984 174.4730 111 N 4.1616 8.5151 118.5625 55.9643 36.3681 177.1788 112 E 3.9134 8.0149 120.6066 59.5414 29.6604 178.8431 113 C 4.1717 8.0540 116.0744 62.4848 28.1349 175.7052 114 A 4.0068 8.0230 122.7050 55.0925 17.8500 179.7057 115 K 3.8284 7.8477 116.7458 59.5754 32.1161 179.3572 116 L 3.9525 7.6248 120.0028 58.1152 41.9214 178.8790 117 I 3.7205 8.2013 120.1995 64.5408 37.1247 178.4194 118 I 3.7840 8.0984 120.5729 64.7477 36.7958 178.6834 119 Q 4.0737 8.1062 117.0293 58.5612 28.5973 178.1413 120 A 4.2025 8.3149 121.2354 53.0743 18.6202 178.4611 121 G 3.8769 7.9494 105.8009 45.3882 0.0000 173.4119 122 I 4.0915 7.3028 120.3871 61.3853 37.5639 176.0960 123 K 4.5335 8.9028 122.9277 56.3385 34.3826 175.5005 124 E 4.9990 7.7907 121.1478 54.5302 33.5234 173.5094 125 V 4.6509 8.6968 126.6242 61.0655 34.4273 174.0170 126 I 4.9614 8.9164 129.2169 59.5312 39.3529 174.5686 127 F 6.1324 8.3563 122.2188 54.7733 40.6423 176.1537 128 M 4.4397 9.2801 120.7009 58.2958 32.6831 175.9761 129 S 5.0711 9.2041 113.1961 55.9365 66.3290 172.8611 130 D 5.0189 8.3308 122.9037 53.5601 41.4124 177.2675 131 K 4.0004 7.8579 118.5951 58.9428 33.1832 176.9719 132 Y 4.8763 7.3393 117.6947 57.6909 38.6326 177.1911 133 H 3.9287 7.8856 122.2117 59.5753 29.8612 175.7106 134 D 4.6146 8.0021 115.4680 54.8831 41.3612 177.2680 135 S 4.3460 7.8981 115.7619 58.1622 64.8958 174.8904 136 D 4.3108 8.4899 122.7336 57.5015 40.6110 178.9105 137 E 3.8757 8.0700 118.3795 59.3629 29.5599 179.1637 138 A 4.0047 7.8325 120.3811 55.3731 18.4579 179.7687 139 T 3.6481 7.9180 114.0319 66.7318 68.4941 176.7062 140 A 3.9179 8.2854 122.7583 54.9464 18.3168 179.4411 141 A 3.4947 7.8554 119.2379 55.2647 18.3915 180.1168 142 R 3.7563 7.9136 116.4536 59.1745 30.1196 178.9556 143 L 3.9862 7.8937 120.0415 58.2437 42.0037 179.0472 144 L 3.9727 7.9334 118.8174 57.8306 41.5003 179.5004 145 F 4.6283 8.1012 117.7396 60.7759 39.0478 177.2293 146 N 4.4687 8.8956 116.5072 57.0353 38.2219 177.4137 147 M 4.2288 8.1412 118.1607 58.1187 32.1989 178.1321 148 A 4.3588 8.3888 119.1509 52.5166 18.8941 178.1247 149 G 3.7861 7.7056 104.0223 45.6006 0.0000 173.1612 150 V 4.3647 7.9081 120.2388 61.5403 32.1929 175.9564 151 T 4.4408 8.4921 118.9470 61.1982 70.7463 173.7164 152 F 5.6270 7.8222 117.3466 55.4591 41.0010 173.8919 153 R 4.8076 9.1437 118.5842 54.0223 33.0486 174.3209 154 K 3.1229 8.3207 123.1060 56.0234 33.0737 175.6721 155 F 4.5568 9.1412 130.8823 57.5707 40.2778 175.1072 156 I 3.9620 7.6921 127.5288 58.5041 37.1563 173.4269 157 P 3.9416 0.0000 0.0000 62.1529 31.8609 177.2057 158 K 4.1221 8.3882 120.2529 58.0879 32.5520 176.9462 159 C 4.7917 7.5545 112.9365 56.1934 32.3340 174.3088 160 S 4.2583 8.7149 117.8411 59.9327 63.3214 174.1955 161 K 4.6078 7.7096 119.7923 54.2566 35.0239 174.9635 162 I 4.4974 8.1042 124.0643 59.4888 40.3302 174.7872 163 V 4.1193 8.3693 124.9254 61.0343 32.8466 174.7916 164 I 4.0798 8.1222 128.0717 59.7270 37.7247 174.3974 165 D 4.6501 8.1146 125.8445 52.0097 42.3274 177.0176 166 F 4.5749 8.3924 125.9830 60.4972 39.1827 176.1258 167 D 4.6805 8.6454 119.5067 55.1412 41.0213 178.4238 168 S 4.1289 7.7852 114.3876 61.1043 63.1415 175.7317 169 I 3.8048 7.8016 120.2999 63.5011 38.0943 175.0847 170 N 4.5546 7.7997 121.4957 53.4010 38.4163 174.7036 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 11 D 8.35 4.58 0.00 2.77 2.77 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 0.00 0.00 0.00 12 Y 7.65 4.59 0.00 3.03 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 13 L 9.01 3.94 0.00 1.55 1.51 0.89 0.98 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 14 E 8.21 4.24 0.00 2.15 1.86 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 1.99 2.45 0.00 15 W 8.57 4.23 0.00 3.43 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 16 P 0.00 4.55 0.00 2.60 2.58 0.00 3.83 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 17 E 8.44 4.14 0.00 2.27 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 2.48 2.80 0.00 18 Y 8.18 4.01 0.00 2.84 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 19 F 7.85 4.03 0.00 1.86 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 0.00 0.00 0.00 20 M 7.83 4.04 0.00 1.65 1.38 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 21 A 8.18 3.94 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 22 V 7.85 3.46 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 0.98 0.00 0.00 0.41 0.00 0.00 23 A 8.01 4.04 1.56 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 0.00 0.00 24 F 8.61 3.92 0.00 3.14 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 25 L 8.48 4.01 0.00 1.84 1.91 0.93 0.87 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 26 S 8.31 4.15 0.00 4.13 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 27 A 7.72 4.20 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 28 Q 7.88 4.05 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 29 R 7.42 3.74 0.00 0.70 0.69 0.00 3.26 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 30 S 7.21 4.27 0.00 3.97 3.79 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 31 K 8.43 4.16 0.00 1.81 1.73 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.47 7.81 32 D 7.33 3.37 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.10 1.94 0.00 3.08 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 34 N 8.39 4.74 0.00 2.69 2.90 0.00 0.00 6.66 8.40 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 35 S 7.94 4.51 0.00 3.81 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 36 Q 8.71 4.76 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 37 V 9.29 4.46 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 0.93 0.00 0.00 0.94 0.00 0.00 38 G 8.59 5.10 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 0.00 0.00 0.00 39 A 8.74 5.21 1.23 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 0.00 0.00 40 C 9.16 5.14 0.00 3.00 2.77 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 0.00 0.00 0.00 41 I 9.15 4.98 1.93 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 1.10 0.66 0.87 0.00 0.00 42 V 8.67 4.70 1.74 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 0.20 0.00 0.00 -0.15 0.00 0.00 43 N 8.40 4.99 0.00 2.85 2.90 0.00 0.00 6.56 7.39 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 44 S 8.61 4.16 0.00 3.97 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 45 E 8.18 4.23 0.00 2.04 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 2.26 2.29 0.00 46 N 7.60 3.93 0.00 2.18 1.53 0.00 0.00 6.88 7.59 0.00 0.00 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 K 8.02 4.42 0.00 1.91 1.72 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.37 7.81 48 I 8.41 4.23 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 0.95 0.00 0.00 49 V 8.84 4.31 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 0.65 0.00 0.00 0.92 0.00 0.00 50 G 7.71 4.31 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 0.00 51 I 8.44 5.26 1.93 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 1.31 1.29 1.06 0.00 0.00 52 G 9.19 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 0.00 0.00 0.00 0.00 53 Y 7.86 5.96 0.00 2.98 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 54 N 9.12 4.78 0.00 2.88 2.95 0.00 0.00 5.89 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 55 G 8.21 4.32 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 0.00 56 M 8.92 4.79 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 57 P 0.00 4.38 0.00 2.16 1.97 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 58 N 8.51 4.42 0.00 2.70 2.78 0.00 0.00 7.01 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 59 G 9.00 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 60 C 7.62 4.80 0.00 3.07 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 61 S 7.34 3.86 0.00 3.58 3.87 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 62 D 8.12 4.56 0.00 2.69 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 63 D 8.41 4.93 0.00 2.89 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 64 V 7.50 3.88 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 0.86 0.00 0.00 0.89 0.00 0.00 65 L 6.81 4.02 0.00 1.07 0.97 0.66 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.35 0.00 2.30 2.13 0.00 3.12 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.99 0.00 67 W 8.47 4.72 0.00 3.29 3.18 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 68 R 7.79 4.25 0.00 2.05 2.13 0.00 3.13 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 69 R 8.55 4.41 0.00 1.93 2.24 0.00 3.22 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 70 T 7.45 4.71 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 1.27 0.00 0.00 71 A 8.21 4.37 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 72 E 9.03 4.06 0.00 1.95 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 2.31 2.28 0.00 73 N 7.70 5.19 0.00 2.86 2.86 0.00 0.00 5.83 6.84 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 74 K 8.58 4.03 0.00 1.96 2.12 0.00 1.46 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.42 7.81 75 L 7.92 4.03 0.00 1.68 1.88 0.90 1.04 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 76 D 8.12 4.71 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 77 T 7.70 4.73 4.52 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 1.29 0.00 0.00 78 K 8.21 4.35 0.00 1.77 2.11 0.00 1.67 0.00 0.00 2.05 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.79 0.65 7.81 79 Y 7.16 4.11 0.00 3.08 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 80 P 0.00 4.19 0.00 0.56 1.66 0.00 3.35 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 81 Y 7.32 4.67 0.00 2.88 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 82 V 7.61 4.08 2.12 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 0.73 0.00 0.00 1.15 0.00 0.00 83 C 9.37 4.82 0.00 2.93 2.84 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 84 H 8.74 4.81 0.00 3.10 3.41 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 85 A 8.97 3.88 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 86 E 8.16 3.90 0.00 2.09 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 2.41 2.44 0.00 87 L 7.93 3.96 0.00 1.70 1.86 0.89 0.64 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 88 N 8.16 4.25 0.00 2.80 2.66 0.00 0.00 6.96 7.22 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 89 A 8.07 4.16 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 90 I 7.65 3.81 2.01 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 1.52 1.21 0.90 0.00 0.00 91 M 8.03 4.31 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 92 N 7.79 4.68 0.00 2.94 2.85 0.00 0.00 6.76 7.23 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 93 K 7.39 4.00 0.00 1.71 1.80 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.24 7.81 *97 D 8.43 4.44 0.00 2.84 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 98 V 7.83 4.30 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 0.94 0.00 0.00 0.95 0.00 0.00 99 K 7.72 4.18 0.00 1.82 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.38 7.81 100 G 9.04 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 0.00 0.00 0.00 101 C 7.60 4.64 0.00 2.91 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 0.00 102 S 8.99 5.09 0.00 3.61 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 9.02 5.01 0.00 1.94 1.84 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 2.50 2.49 0.00 104 Y 9.32 4.95 0.00 2.85 2.90 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 0.00 0.00 0.00 105 V 8.94 4.85 2.24 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 0.75 0.00 0.00 1.08 0.00 0.00 106 A 8.39 4.14 0.94 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 0.00 107 L 7.69 5.23 0.00 1.70 1.60 1.04 0.95 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 0.00 108 F 8.94 3.94 0.00 2.73 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 0.00 109 P 0.00 4.62 0.00 1.99 2.04 0.00 2.27 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 110 C 8.36 4.50 0.00 3.15 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 0.00 111 N 8.52 4.16 0.00 2.83 3.21 0.00 0.00 5.94 7.66 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 0.00 112 E 8.01 3.91 0.00 1.97 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 2.35 2.29 0.00 113 C 8.05 4.17 0.00 3.10 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 0.00 114 A 8.02 4.01 0.77 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 0.00 0.00 0.00 0.00 0.00 115 K 7.85 3.83 0.00 1.99 1.85 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.58 7.81 116 L 7.62 3.95 0.00 1.91 1.76 0.91 0.97 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 0.00 117 I 8.20 3.72 2.25 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 1.54 1.38 0.92 0.00 0.00 118 I 8.10 3.78 2.06 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 1.73 1.20 0.97 0.00 0.00 119 Q 8.11 4.07 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 120 A 8.31 4.20 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 0.00 121 G 7.95 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 0.00 0.00 0.00 122 I 7.30 4.09 1.97 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 1.26 0.56 0.90 0.00 0.00 123 K 8.90 4.53 0.00 1.59 1.77 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 124 E 7.79 5.00 0.00 1.91 1.61 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 2.13 2.22 0.00 125 V 8.70 4.65 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 0.80 0.00 0.00 0.46 0.00 0.00 126 I 8.92 4.96 0.97 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 0.86 0.00 0.00 127 F 8.36 6.13 0.00 3.31 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 0.00 128 M 9.28 4.44 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.99 0.00 129 S 9.20 5.07 0.00 3.98 3.77 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 0.00 0.00 0.00 130 D 8.33 5.02 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.86 4.00 0.00 1.58 1.76 0.00 1.39 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.90 0.21 7.81 132 Y 7.34 4.88 0.00 3.04 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 0.00 133 H 7.89 3.93 0.00 3.18 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.00 4.61 0.00 2.73 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 0.00 135 S 7.90 4.35 0.00 4.19 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 0.00 136 D 8.49 4.31 0.00 2.66 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 0.00 137 E 8.07 3.88 0.00 2.00 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 2.33 2.50 0.00 138 A 7.83 4.00 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 0.00 139 T 7.92 3.65 4.30 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 1.16 0.00 0.00 140 A 8.29 3.92 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 0.00 141 A 7.86 3.49 1.25 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 0.00 0.00 0.00 142 R 7.91 3.76 0.00 1.94 2.03 0.00 3.11 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.38 0.00 143 L 7.89 3.99 0.00 1.75 1.79 0.95 0.44 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 0.00 144 L 7.93 3.97 0.00 1.59 1.59 0.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.10 4.63 0.00 3.44 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 0.00 146 N 8.90 4.47 0.00 3.09 2.99 0.00 0.00 7.08 7.21 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 0.00 147 M 8.14 4.23 0.00 2.03 2.16 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 2.81 2.58 0.00 148 A 8.39 4.36 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 0.00 149 G 7.71 3.79 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 0.00 0.00 0.00 150 V 7.91 4.36 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 0.35 0.00 0.00 1.04 0.00 0.00 151 T 8.49 4.44 4.12 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 0.00 0.00 1.15 0.00 0.00 152 F 7.82 5.63 0.00 3.45 2.98 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 0.00 153 R 9.14 4.81 0.00 1.81 1.98 0.00 2.76 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 154 K 8.32 3.12 0.00 1.62 1.61 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.31 7.81 155 F 9.14 4.56 0.00 2.97 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 0.00 156 I 7.69 3.96 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.76 0.00 0.00 157 P 0.00 3.94 0.00 2.28 2.10 0.00 3.53 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 158 K 8.39 4.12 0.00 1.69 1.83 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.33 7.81 159 C 7.55 4.79 0.00 2.96 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 0.00 160 S 8.71 4.26 0.00 3.97 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 0.00 161 K 7.71 4.61 0.00 1.65 1.63 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.39 7.81 162 I 8.10 4.50 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.88 0.00 0.00 163 V 8.37 4.12 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 0.76 0.00 0.00 0.89 0.00 0.00 164 I 8.12 4.08 1.61 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.95 0.64 0.00 0.00 165 D 8.11 4.65 0.00 2.57 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 0.00 166 F 8.39 4.57 0.00 3.11 2.98 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 0.00 167 D 8.65 4.68 0.00 2.87 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 0.00 168 S 7.79 4.13 0.00 4.00 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 0.00 169 I 7.80 3.80 1.92 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 1.44 0.71 1.03 0.00 0.00 170 N 7.80 4.55 0.00 2.75 2.72 0.00 0.00 6.89 7.42 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 * Residues marked with a * may have inaccurate shift predictions.