NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 M 4.2195 8.1476 118.1613 54.8374 33.3402 177.5113 23 N 3.9165 7.9870 117.0688 53.9500 37.5916 172.8884 24 E 4.1823 8.7392 115.0390 56.5826 31.3187 177.8879 25 I 4.1933 7.1240 119.8542 62.2524 39.2526 177.5045 26 Q 4.1075 8.2958 118.8293 57.9745 28.7079 177.0334 27 K 4.5322 7.2698 116.8012 55.1669 32.4147 175.5614 28 N 4.7889 7.3303 113.0610 53.5012 43.1732 173.9474 29 I 4.7338 6.6938 112.8614 59.8267 37.8505 174.6321 30 D 4.5795 8.7324 122.0666 53.6412 47.3800 175.1111 31 G 3.8723 8.6544 105.9332 44.9158 0.0000 174.3990 32 W 3.6810 8.0275 126.6404 57.9286 28.4388 173.6741 33 E 3.9849 7.5107 121.8028 56.8713 30.1227 177.9973 34 G 3.8407 8.6364 106.2366 45.7126 0.0000 174.2499 35 K 4.1892 8.0340 120.1035 55.0685 31.3121 172.3158 36 D 4.4631 8.6170 124.6520 54.3286 38.8432 173.1850 37 I 4.3402 8.3723 117.4017 61.6711 39.5191 178.2128 38 G 3.2244 8.5555 109.0683 47.6592 0.0000 173.7769 39 Q 4.3605 8.0194 116.0411 57.1948 29.7104 176.3328 40 C 4.4223 8.1626 114.5045 59.4166 29.8751 175.1574 41 C 5.3460 9.4421 124.0197 57.9204 28.1684 174.1338 42 N 3.9501 8.7260 120.6569 54.5369 37.7912 174.8614 43 E 4.0343 7.4657 117.2147 54.8682 27.2073 172.4854 44 F 4.6680 8.2034 116.1424 55.9789 37.5502 176.3914 45 I 3.9572 8.8508 128.2957 64.4017 37.2825 176.1595 46 M 4.9577 8.2517 118.5450 53.2110 34.1020 173.4111 47 E 3.8983 8.6225 121.5320 54.7074 31.4774 175.2253 48 G 3.9481 7.5253 109.9563 45.6738 0.0000 171.3206 49 T 4.7624 8.4494 115.0733 59.9217 69.2168 173.0945 50 L 4.3960 7.7195 127.8740 53.0143 44.9317 175.5470 51 T 4.6260 8.4232 118.4864 62.3272 70.5497 174.2662 52 R 4.7971 9.3394 127.6866 54.9242 30.5514 176.0303 53 V 4.2584 8.8658 131.3064 61.4483 28.7389 176.4542 54 G 4.1589 7.8062 104.6243 44.6201 0.0000 170.7272 55 A 5.3816 8.7374 135.0000 54.1242 21.1955 177.5748 56 K 3.7585 7.9051 117.1107 58.8360 30.2987 172.5644 57 H 5.2450 8.4587 116.5215 53.5675 33.8113 172.5541 58 E 5.1925 8.5197 118.6696 54.9015 33.5594 174.7158 59 R 5.0188 8.2027 114.5738 55.8278 33.4535 173.8197 60 H 4.3639 10.0233 123.7962 55.3556 29.8522 174.3488 61 I 3.9706 7.8811 126.5056 61.7194 38.4370 175.9993 62 F 5.2063 8.6439 123.1106 56.5882 42.3413 171.4493 63 L 4.2476 8.7112 123.2043 55.5831 41.6908 176.7624 64 F 5.3222 9.4840 124.2087 56.1169 40.7020 176.7259 65 D 4.5953 8.6499 120.0777 55.7931 41.1246 176.9902 66 G 3.9738 7.5901 106.3136 47.2293 0.0000 172.8632 67 L 4.2850 7.1664 117.7913 55.6567 43.6790 172.4824 68 M 4.4192 7.9146 119.0083 53.8214 34.0598 174.5449 69 I 4.5961 7.7191 125.5650 59.3611 41.3876 173.4842 70 C 4.7754 8.7420 127.8442 58.3547 30.1370 173.2265 71 C 4.9815 8.8284 123.7482 58.2993 28.2800 173.4717 72 K 4.3324 9.6377 127.5171 57.1050 33.1577 176.1272 73 S 4.1706 9.0611 120.7903 57.9766 64.7389 172.6417 74 N 4.6675 8.8133 124.2282 54.5042 40.6692 173.5831 75 H 4.9350 7.5435 110.6001 53.8552 31.6791 171.8213 76 G 4.1162 8.3978 108.1575 44.4274 0.0000 172.3508 77 Q 4.5627 7.9839 116.5670 53.3335 31.7993 174.2430 78 P 4.4790 0.0000 0.0000 63.3460 33.3836 177.3422 79 R 3.8722 8.7331 117.2594 57.5582 27.2032 178.4654 80 L 3.9881 7.4438 117.7456 57.4713 41.5150 176.8254 81 P 4.4877 0.0000 0.0000 63.7682 31.4719 176.2268 82 G 3.8133 7.7064 107.5846 45.5273 0.0000 171.7162 83 A 3.4713 8.0003 128.3834 51.9473 15.0187 177.8167 84 S 4.6208 7.5973 115.8556 59.2663 66.2226 176.7403 85 N 4.9850 7.1975 123.6516 54.8860 41.0773 174.7255 86 A 4.8613 7.0192 120.6685 50.7965 19.0612 178.2502 87 E 3.9243 8.1578 122.1003 59.2485 30.4426 177.8708 88 Y 4.6124 7.6801 115.6314 57.3241 40.2535 174.4707 89 R 5.1536 9.0783 122.8279 55.9697 33.1428 175.5019 90 L 4.4818 8.7695 128.0033 56.2028 41.1123 176.2314 91 K 4.5529 9.0431 125.4639 54.0234 34.5952 174.9173 92 E 4.2213 8.8568 127.3054 56.8185 29.9923 178.0213 93 K 4.3027 8.5506 124.4275 54.7309 33.4431 175.5579 94 F 4.9296 6.9055 118.9297 55.1381 35.5579 176.0575 95 F 4.9614 7.1259 118.4477 57.3110 40.3028 177.5081 96 M 4.8332 7.7146 120.4917 58.6109 31.7474 177.4961 97 R 4.0402 8.0946 116.9146 58.1081 30.0052 176.1451 98 K 4.4864 9.3008 113.2761 56.8593 35.0083 174.3203 99 V 4.1650 7.9768 119.2486 60.2558 34.7554 175.9242 100 Q 4.6470 7.9052 116.2794 55.9701 31.0113 172.6320 101 I 4.0121 7.8681 122.7699 60.6591 39.5598 175.3366 102 N 4.8403 9.0688 125.6753 51.1535 40.8820 172.4073 103 D 4.8528 8.4567 123.5116 53.5769 36.9601 175.9845 104 K 4.3957 8.2691 127.9381 55.4302 31.1494 174.0084 105 D 5.1870 7.8965 121.5095 53.0606 44.9055 174.8650 106 D 4.2246 8.7832 115.2958 55.5069 42.6188 181.7472 107 T 3.3405 7.5000 105.9317 62.9049 72.8291 174.6273 108 N 4.0149 7.2624 125.5502 54.4864 39.3127 175.3589 109 E 4.4277 9.3165 117.2224 56.2796 31.6950 174.5530 110 Y 5.1727 7.3522 116.3911 56.0334 41.2246 174.7402 111 K 4.0434 8.7636 122.0453 58.3243 31.5676 177.6093 112 H 4.9057 8.4783 116.4965 55.4541 31.9748 172.4509 113 A 4.4714 9.0126 121.8211 50.5524 23.1531 175.2083 114 F 5.2937 8.3674 114.3555 55.4499 42.5048 172.7571 115 E 4.9835 8.8048 116.6502 55.2519 31.6028 175.2260 116 I 4.3009 8.2915 124.3644 59.7199 39.9034 174.8577 117 I 4.6115 8.7067 130.2836 59.6996 36.9675 175.4020 118 L 4.2403 8.0429 127.8524 53.7526 42.4343 176.5645 119 K 3.9921 7.7679 120.1622 57.1973 33.0070 176.3050 120 D 4.3500 9.1372 117.5762 54.0068 39.6563 173.1766 121 E 3.6417 7.5801 115.2767 56.3889 27.8216 171.7542 122 N 4.9455 8.4558 118.7668 51.7438 43.0834 172.6571 123 S 5.1674 8.6133 120.9112 56.9003 65.4128 173.1465 124 V 4.3818 8.5348 121.7440 61.3167 35.6072 174.6025 125 I 5.7691 7.8017 120.1992 58.6421 38.2033 175.1776 126 F 5.2729 8.4547 124.5722 57.5818 41.2022 174.4718 127 S 5.2403 9.6316 114.7889 56.2663 64.7626 172.7237 128 A 4.7273 8.3626 128.7178 49.8095 21.0697 176.1563 129 K 4.0805 7.9767 115.1388 55.4363 34.0221 176.7465 130 S 4.4376 7.2087 116.0506 56.5538 65.1185 173.9412 131 A 3.8628 8.6241 129.8136 55.5651 17.4904 179.0456 132 E 3.8606 7.9480 116.1796 59.5361 29.4339 179.0492 133 E 3.9689 7.7712 118.3415 59.0884 29.4547 179.2923 134 K 3.8984 8.1595 119.1653 60.0759 32.3892 178.6847 135 N 4.2996 7.7822 118.0595 56.3027 39.0786 176.5622 136 N 4.2161 9.3603 117.8179 55.1632 38.1692 177.5656 137 W 4.4055 9.2852 122.4252 59.6840 29.2168 178.2529 138 M 4.1345 8.1419 116.5362 57.7524 30.9429 178.4617 139 A 3.7897 8.7491 122.4197 54.7981 18.4363 179.3832 140 A 3.9351 7.8365 119.0874 55.3369 18.4767 179.9284 141 L 4.0057 7.6033 116.2925 58.1223 41.6794 179.8410 142 I 4.3498 8.3243 121.2087 63.0149 36.6080 178.5547 143 S 3.9602 7.6985 114.1688 61.3298 61.9349 175.8131 144 L 4.1454 7.6833 121.7146 57.9576 41.4866 179.0730 145 Q 4.5654 8.3202 119.4921 59.8228 28.6717 178.7117 146 Y 4.4186 7.9026 117.6519 60.4680 37.6476 176.8888 147 R 4.4783 9.2117 117.7669 56.5834 30.2236 176.4478 148 S 4.7959 7.3392 110.4501 58.9466 63.7454 173.4949 149 T 4.2118 7.3906 123.6653 62.9545 73.1676 172.7043 150 L 4.7656 7.5470 121.7857 55.4173 42.7971 175.9759 151 E 4.0765 8.8520 118.8178 57.3497 30.5898 175.3629 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 22 M 8.15 4.22 0.00 1.46 0.57 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.12 0.00 23 N 7.99 3.92 0.00 2.83 2.85 0.00 0.00 6.02 6.71 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 24 E 8.74 4.18 0.00 2.01 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 2.18 2.18 0.00 25 I 7.12 4.19 1.83 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.10 1.05 0.00 0.00 26 Q 8.30 4.11 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.36 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 27 K 7.27 4.53 0.00 1.68 1.86 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.49 7.81 28 N 7.33 4.79 0.00 2.47 2.58 0.00 0.00 6.40 7.52 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 29 I 6.69 4.73 2.04 0.00 0.00 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 1.57 0.76 1.10 0.00 0.00 30 D 8.73 4.58 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 31 G 8.65 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 0.00 0.00 0.00 32 W 8.03 3.68 0.00 3.46 3.21 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 0.00 33 E 7.51 3.98 0.00 1.89 1.82 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 2.32 2.25 0.00 34 G 8.64 3.84 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 0.00 0.00 0.00 35 K 8.03 4.19 0.00 1.73 1.79 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 36 D 8.62 4.46 0.00 2.87 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 37 I 8.37 4.34 1.86 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.83 0.00 0.00 38 G 8.56 3.22 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 0.00 39 Q 8.02 4.36 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 40 C 8.16 4.42 0.00 2.99 3.03 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 41 C 9.44 5.35 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 42 N 8.73 3.95 0.00 2.95 2.87 0.00 0.00 7.02 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 43 E 7.47 4.03 0.00 2.01 1.72 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 2.21 2.29 0.00 44 F 8.20 4.67 0.00 3.75 3.25 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 45 I 8.85 3.96 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 1.42 0.62 0.95 0.00 0.00 46 M 8.25 4.96 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 47 E 8.62 3.90 0.00 1.37 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 2.20 2.25 0.00 48 G 7.53 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 49 T 8.45 4.76 3.75 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 1.11 0.00 0.00 50 L 7.72 4.40 0.00 0.32 0.57 -0.37 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.42 4.63 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 1.30 0.00 0.00 52 R 9.34 4.80 0.00 1.93 1.91 0.00 3.15 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 53 V 8.87 4.26 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 0.69 0.00 0.00 0.93 0.00 0.00 54 G 7.81 4.16 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 0.00 0.00 0.00 55 A 8.74 5.38 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 56 K 7.91 3.76 0.00 1.77 1.69 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 H 8.46 5.25 0.00 3.09 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.52 5.19 0.00 2.03 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 2.20 2.28 0.00 59 R 8.20 5.02 0.00 2.00 2.04 0.00 2.78 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 60 H 10.02 4.36 0.00 2.72 3.04 0.00 5.78 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.88 3.97 1.44 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.33 0.69 0.00 0.00 62 F 8.64 5.21 0.00 2.96 2.76 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 0.00 0.00 0.00 0.00 63 L 8.71 4.25 0.00 1.73 1.86 0.99 1.07 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 9.48 5.32 0.00 3.12 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 65 D 8.65 4.60 0.00 2.80 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 66 G 7.59 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.17 4.28 0.00 1.69 1.76 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 M 7.91 4.42 0.00 0.88 0.78 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 69 I 7.72 4.60 1.21 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 -0.59 0.00 0.00 70 C 8.74 4.78 0.00 2.93 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 71 C 8.83 4.98 0.00 3.03 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 72 K 9.64 4.33 0.00 1.84 1.68 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.39 7.81 73 S 9.06 4.17 0.00 3.81 3.39 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 74 N 8.81 4.67 0.00 2.56 2.46 0.00 0.00 7.02 7.91 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 75 H 7.54 4.93 0.00 3.16 3.26 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.40 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 0.00 0.00 0.00 0.00 77 Q 7.98 4.56 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 78 P 0.00 4.48 0.00 2.21 2.22 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 79 R 8.73 3.87 0.00 2.08 2.11 0.00 3.13 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 80 L 7.44 3.99 0.00 1.62 1.74 0.93 1.03 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 81 P 0.00 4.49 0.00 2.17 2.16 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 82 G 7.71 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 0.00 0.00 0.00 83 A 8.00 3.47 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 84 S 7.60 4.62 0.00 3.89 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 85 N 7.20 4.99 0.00 2.83 2.75 0.00 0.00 6.70 8.20 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 86 A 7.02 4.86 1.48 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 0.00 0.00 87 E 8.16 3.92 0.00 2.08 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 2.38 2.49 0.00 88 Y 7.68 4.61 0.00 2.96 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 89 R 9.08 5.15 0.00 1.84 1.78 0.00 3.33 0.00 0.00 3.34 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 90 L 8.77 4.48 0.00 1.64 1.74 1.01 0.37 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 91 K 9.04 4.55 0.00 1.85 1.66 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.53 7.81 92 E 8.86 4.22 0.00 1.96 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 2.32 2.37 0.00 93 K 8.55 4.30 0.00 1.44 1.15 0.00 1.90 0.00 0.00 1.96 0.00 0.00 2.72 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.69 7.81 94 F 6.91 4.93 0.00 2.97 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 95 F 7.13 4.96 0.00 3.16 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 96 M 7.71 4.83 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 97 R 8.09 4.04 0.00 1.83 2.03 0.00 3.31 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 98 K 9.30 4.49 0.00 1.88 1.68 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.34 7.81 99 V 7.98 4.17 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 1.09 0.00 0.00 0.98 0.00 0.00 100 Q 7.91 4.65 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 101 I 7.87 4.01 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.85 0.00 0.00 102 N 9.07 4.84 0.00 2.76 2.71 0.00 0.00 6.82 8.22 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 0.00 103 D 8.46 4.85 0.00 2.78 2.52 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 0.00 104 K 8.27 4.40 0.00 1.85 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 105 D 7.90 5.19 0.00 2.87 2.61 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 0.00 106 D 8.78 4.22 0.00 1.58 1.62 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 0.00 107 T 7.50 3.34 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 108 N 7.26 4.01 0.00 2.70 2.84 0.00 0.00 6.58 7.62 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 0.00 109 E 9.32 4.43 0.00 1.70 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 2.36 2.30 0.00 110 Y 7.35 5.17 0.00 3.04 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 0.00 111 K 8.76 4.04 0.00 1.77 1.64 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.37 7.81 112 H 8.48 4.91 0.00 3.12 3.09 0.00 5.71 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 0.00 113 A 9.01 4.47 1.13 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 0.00 0.00 0.00 0.00 0.00 114 F 8.37 5.29 0.00 3.20 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 0.00 115 E 8.80 4.98 0.00 2.00 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 2.26 2.52 0.00 116 I 8.29 4.30 1.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.54 0.00 0.00 117 I 8.71 4.61 2.12 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 1.20 1.25 0.82 0.00 0.00 118 L 8.04 4.24 0.00 0.27 0.57 0.55 -0.30 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 0.00 119 K 7.77 3.99 0.00 2.37 1.93 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.54 7.81 120 D 9.14 4.35 0.00 2.80 2.64 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 0.00 121 E 7.58 3.64 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 122 N 8.46 4.95 0.00 2.59 2.42 0.00 0.00 6.77 8.15 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 0.00 123 S 8.61 5.17 0.00 3.81 3.75 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 0.00 124 V 8.53 4.38 1.50 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 1.21 0.00 0.00 0.75 0.00 0.00 125 I 7.80 5.77 1.90 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 1.34 1.23 0.98 0.00 0.00 126 F 8.45 5.27 0.00 3.47 3.30 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 0.00 127 S 9.63 5.24 0.00 4.06 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 0.00 128 A 8.36 4.73 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.98 4.08 0.00 1.72 1.73 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.34 7.81 130 S 7.21 4.44 0.00 3.57 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 0.00 131 A 8.62 3.86 1.30 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 0.00 0.00 0.00 132 E 7.95 3.86 0.00 1.94 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 2.37 2.32 0.00 133 E 7.77 3.97 0.00 1.28 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 2.27 2.22 0.00 134 K 8.16 3.90 0.00 2.24 2.09 0.00 1.17 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.66 7.81 135 N 7.78 4.30 0.00 2.84 2.92 0.00 0.00 7.22 7.41 0.00 0.00 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 N 9.36 4.22 0.00 3.07 3.02 0.00 0.00 7.25 7.58 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 0.00 137 W 9.29 4.41 0.00 3.39 3.27 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 0.00 138 M 8.14 4.13 0.00 2.06 2.20 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 2.67 2.60 0.00 139 A 8.75 3.79 1.32 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 0.00 140 A 7.84 3.94 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 4.01 0.00 1.98 1.73 1.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.32 4.35 1.66 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.00 0.00 0.00 143 S 7.70 3.96 0.00 3.99 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 0.00 144 L 7.68 4.15 0.00 1.74 1.94 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.32 4.57 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.16 0.00 0.00 0.00 0.00 0.00 2.47 2.81 0.00 146 Y 7.90 4.42 0.00 3.19 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 0.00 147 R 9.21 4.48 0.00 1.96 1.97 0.00 3.60 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 148 S 7.34 4.80 0.00 4.04 3.86 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 0.00 149 T 7.39 4.21 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 1.16 0.00 0.00 150 L 7.55 4.77 0.00 1.60 1.59 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.85 4.08 0.00 2.06 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 2.23 2.30 0.00