NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 4.8373 8.1293 118.3407 57.7734 39.2575 173.9031 16 S 4.4065 8.4277 117.0065 56.1182 64.1722 172.3222 17 N 4.7698 8.9325 117.6692 53.7167 39.1006 176.3522 18 A 4.8653 7.7016 122.3079 52.2198 19.4476 176.8250 19 I 4.8539 8.8440 112.7684 59.3397 42.1185 174.2622 20 V 4.8648 8.6070 122.4246 61.3489 34.3868 174.1717 21 V 4.7914 9.0090 129.1345 61.5004 33.3588 174.5256 22 L 5.1052 9.0432 128.7375 54.3015 43.3071 175.3509 23 C 5.6548 9.1785 121.7609 58.5806 35.5028 172.5243 24 T 5.3484 8.6643 113.2112 59.9160 71.3771 172.7790 25 A 4.6321 8.7451 124.3107 49.2864 22.2061 175.6790 26 P 4.3727 0.0000 0.0000 65.3994 31.9834 176.2224 27 D 4.6112 7.3508 117.4856 51.3461 43.5481 176.0498 28 E 3.9432 8.6358 118.6117 59.1759 29.3848 179.3305 29 A 3.9747 7.9419 120.6838 55.3497 18.5806 179.7605 30 S 4.0494 8.7432 112.8613 61.3301 63.0130 176.4491 31 A 3.9677 7.9158 124.3399 55.0994 18.1090 179.6599 32 Q 3.9138 8.3725 116.8726 59.0763 28.7958 178.7124 33 N 4.3226 8.2433 117.4955 56.2181 38.5287 177.2072 34 L 4.0455 8.0750 121.3975 58.1159 42.1556 178.7177 35 A 4.0638 8.2710 120.5875 55.2602 18.2369 179.4885 36 A 3.9265 8.2026 119.2104 55.3392 18.4496 179.8784 37 Q 3.9036 8.1973 116.5363 59.1814 28.8791 179.2374 38 V 3.1807 8.0633 119.4189 65.9015 31.5656 178.0983 39 L 4.0884 8.3021 119.1191 57.5884 41.2132 179.6333 40 G 3.6042 8.0270 105.0886 47.7643 0.0000 174.9831 41 E 4.0441 7.8173 117.9855 55.6983 30.0597 176.7513 42 K 3.7396 7.8806 118.2620 57.6585 30.0320 176.5246 43 L 4.4476 7.7963 116.6685 54.7200 42.5079 176.6436 44 A 4.6349 7.3583 119.7564 50.7302 22.1444 175.6163 45 A 4.1816 8.7101 122.0318 53.8092 20.0595 177.7775 46 C 4.8109 7.8615 114.1094 58.1708 35.4690 173.0881 47 V 4.5275 8.4001 124.9013 61.4201 33.5637 174.3492 48 T 4.5410 8.7289 125.3886 61.8406 70.6596 173.4167 49 L 4.8162 8.4459 126.2418 53.2007 43.8233 176.7659 50 L 4.7238 8.7640 124.9762 52.2070 42.0825 174.3898 51 P 4.5114 0.0000 0.0000 62.6230 32.9513 176.6062 52 G 3.7678 8.7301 105.8391 46.1214 0.0000 173.6004 53 A 4.5241 7.8774 121.7962 51.5648 20.2830 177.2832 54 T 5.0169 8.3957 114.8795 61.9394 71.7297 173.9313 55 S 4.9317 9.3504 122.3200 56.6992 65.8755 173.0533 56 L 5.4716 8.4122 123.5821 52.3526 44.2842 175.2039 57 Y 4.6860 7.2613 117.9842 56.8432 40.6862 171.8985 58 Y 4.8269 9.0318 118.5472 56.9742 39.5172 175.1309 59 W 5.0421 9.0998 133.3670 56.7851 33.6040 174.8184 60 E 3.3628 9.3407 126.0124 57.3920 26.4763 175.8465 61 G 4.0502 8.5653 105.8993 45.0716 0.0000 173.8370 62 K 4.7590 7.8606 119.2448 54.2234 35.3489 175.2584 63 L 3.5609 8.2217 125.9594 54.6659 42.6202 175.7449 64 E 4.4471 8.5525 126.3521 54.6557 32.5601 175.3849 65 Q 4.2945 8.1309 122.3609 54.7202 31.4756 173.7050 66 E 4.7038 8.9977 125.7994 54.3636 34.0222 175.1439 67 Y 4.9424 8.4025 119.8365 58.4658 38.9689 174.7335 68 E 4.9555 9.4331 121.5083 55.3275 35.2902 173.8455 69 V 4.6991 8.8186 121.5238 61.4409 33.7698 174.2068 70 Q 4.6733 8.7959 129.7077 55.2543 30.4652 174.2585 71 L 5.1247 9.4713 127.2419 53.1110 44.8981 175.7358 72 L 4.9917 8.6093 121.5787 53.2136 45.0857 175.5811 73 F 4.8689 9.4832 124.5846 56.1060 40.7694 175.3706 74 K 4.9260 9.1452 124.9855 55.4552 33.5196 175.3044 75 S 4.3276 8.7665 122.0541 57.3986 66.0809 172.0626 76 N 5.5882 8.6270 114.1113 51.0141 40.5619 175.0052 77 T 3.9186 9.0937 109.3972 64.9211 68.6990 176.2604 78 D 4.4065 7.7509 119.5695 56.6159 41.0902 176.6335 79 H 4.8152 8.3879 114.7366 55.0463 30.1704 175.2039 80 Q 3.9312 7.9834 122.1561 59.5183 28.7709 178.2995 81 Q 3.9359 8.0161 119.7115 59.0468 29.1300 177.7319 82 A 4.0114 7.9756 121.3804 54.9985 18.3433 179.1713 83 L 3.8421 8.0288 118.6662 58.3078 42.1883 179.0609 84 L 3.9036 7.9123 118.8118 58.2681 41.7118 179.8151 85 T 3.8505 8.2729 115.8877 66.6103 68.1399 176.1608 86 Y 3.8535 8.0375 120.5344 60.7113 39.1692 177.7885 87 I 3.8820 8.0444 120.9263 64.4350 37.0210 178.0693 88 K 3.7816 7.8779 118.9719 59.5616 32.0102 177.7929 89 Q 4.2870 7.6282 114.5532 56.2080 29.4311 175.3236 90 H 4.8745 8.0516 117.5406 55.7971 28.9093 172.8047 91 H 4.8818 7.8787 117.3846 53.4177 32.8451 172.1553 92 P 4.3801 0.0000 0.0000 65.4148 31.4147 176.6591 93 Y 4.7875 7.1312 111.7777 57.0248 38.9990 175.5206 94 Q 4.1836 8.7489 123.4403 58.7988 29.6464 176.5501 95 T 4.6145 7.4235 113.6643 60.7707 68.5278 171.5745 96 P 4.5026 0.0000 0.0000 61.8025 32.9332 176.8051 97 E 4.0399 8.5870 121.2971 56.6675 30.7404 175.7914 98 L 4.7115 8.4264 126.7850 53.6948 44.8987 174.9532 99 L 4.7299 8.8013 124.2870 52.7119 45.2854 175.9887 100 V 4.4340 8.5231 124.3523 61.7019 32.6288 174.7937 101 L 4.7256 8.8982 129.3795 52.6695 43.3529 174.7593 102 P 4.6865 0.0000 0.0000 62.6042 32.7854 175.5370 103 V 4.3596 8.0718 121.0363 61.2471 33.3209 176.4464 104 R 4.4453 8.7172 124.3611 58.3581 30.1940 175.3426 105 D 4.4255 7.6067 115.2338 54.1682 43.6937 173.7357 106 G 4.0897 8.1080 109.7477 43.3617 0.0000 173.1876 107 D 4.4393 8.4081 118.8305 53.7068 42.4324 176.1100 108 K 3.8727 8.8812 127.9704 60.1111 32.1949 178.4154 109 D 4.4184 8.2154 118.3017 57.5111 40.7323 178.0557 110 Y 4.1780 8.5472 119.9821 60.8079 38.7999 177.9202 111 L 3.9740 8.5572 120.3637 57.8880 41.6256 179.7628 112 S 4.0944 8.2830 115.0651 61.3063 62.7110 176.5054 113 W 4.0277 8.1386 131.0010 60.2804 30.2223 177.6325 114 L 3.0915 7.7573 119.2845 58.0617 41.6226 178.4119 115 N 4.3241 8.2723 116.4422 56.2234 38.2811 177.2099 116 A 3.9574 7.8047 120.6221 54.3703 18.5252 179.1154 117 S 4.0144 6.9590 112.1561 59.0298 63.2205 174.5803 118 L 4.2930 6.3836 121.3075 52.9946 42.5709 176.5611 119 L 4.0593 7.9414 121.4358 55.7536 41.8960 176.9122 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 15 Y 8.13 4.84 0.00 3.05 3.19 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 0.00 0.00 0.00 16 S 8.43 4.41 0.00 4.04 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 17 N 8.93 4.77 0.00 2.81 3.12 0.00 0.00 5.84 7.46 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 18 A 7.70 4.87 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 19 I 8.84 4.85 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.93 0.00 0.00 20 V 8.61 4.86 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 1.02 0.00 0.00 0.98 0.00 0.00 21 V 9.01 4.79 2.17 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 0.97 0.00 0.00 0.95 0.00 0.00 22 L 9.04 5.11 0.00 1.65 1.76 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.18 5.65 0.00 3.15 3.05 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 24 T 8.66 5.35 4.40 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 1.33 0.00 0.00 25 A 8.75 4.63 1.11 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 26 P 0.00 4.37 0.00 2.23 2.35 0.00 3.40 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 27 D 7.35 4.61 0.00 2.90 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 28 E 8.64 3.94 0.00 2.01 2.01 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 2.38 2.35 0.00 29 A 7.94 3.97 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 30 S 8.74 4.05 0.00 3.91 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 31 A 7.92 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.37 3.91 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 33 N 8.24 4.32 0.00 2.88 2.88 0.00 0.00 6.68 6.17 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 34 L 8.08 4.05 0.00 1.82 1.98 1.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.27 4.06 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 36 A 8.20 3.93 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.20 3.90 0.00 2.44 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 38 V 8.06 3.18 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 1.10 0.00 0.00 1.04 0.00 0.00 39 L 8.30 4.09 0.00 1.84 1.68 0.92 1.07 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 40 G 8.03 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 41 E 7.82 4.04 0.00 1.70 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 0.00 2.15 1.57 0.00 42 K 7.88 3.74 0.00 1.90 1.84 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.31 7.81 43 L 7.80 4.45 0.00 1.50 1.63 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.36 4.63 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 45 A 8.71 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.86 4.81 0.00 3.38 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 47 V 8.40 4.53 1.89 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 -0.02 0.00 0.00 0.84 0.00 0.00 48 T 8.73 4.54 4.20 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 1.18 0.00 0.00 49 L 8.45 4.82 0.00 1.44 1.54 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.76 4.72 0.00 1.61 1.58 0.93 1.12 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 51 P 0.00 4.51 0.00 2.05 2.04 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 52 G 8.73 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 0.00 0.00 0.00 53 A 7.88 4.52 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 54 T 8.40 5.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 55 S 9.35 4.93 0.00 3.89 3.93 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 56 L 8.41 5.47 0.00 1.47 1.45 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.26 4.69 0.00 3.15 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 58 Y 9.03 4.83 0.00 2.99 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 59 W 9.10 5.04 0.00 3.63 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 60 E 9.34 3.36 0.00 2.09 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 1.91 1.47 0.00 61 G 8.57 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 0.00 0.00 0.00 62 K 7.86 4.76 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.51 7.81 63 L 8.22 3.56 0.00 0.67 1.24 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.55 4.45 0.00 1.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 65 Q 8.13 4.29 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 66 E 9.00 4.70 0.00 1.98 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 2.12 2.45 0.00 67 Y 8.40 4.94 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 68 E 9.43 4.96 0.00 1.96 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 0.00 2.40 2.39 0.00 69 V 8.82 4.70 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 0.91 0.00 0.00 0.98 0.00 0.00 70 Q 8.80 4.67 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 71 L 9.47 5.12 0.00 1.85 1.29 1.08 -0.03 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 72 L 8.61 4.99 0.00 1.50 1.57 0.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.48 4.87 0.00 2.95 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 74 K 9.15 4.93 0.00 1.94 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 75 S 8.77 4.33 0.00 3.91 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 76 N 8.63 5.59 0.00 3.08 2.84 0.00 0.00 5.73 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 77 T 9.09 3.92 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 78 D 7.75 4.41 0.00 2.94 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 79 H 8.39 4.82 0.00 3.19 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.98 3.93 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 81 Q 8.02 3.94 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 82 A 7.98 4.01 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 83 L 8.03 3.84 0.00 1.96 1.86 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.91 3.90 0.00 1.86 1.68 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.27 3.85 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 86 Y 8.04 3.85 0.00 3.07 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 87 I 8.04 3.88 1.76 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 1.21 0.43 0.88 0.00 0.00 88 K 7.88 3.78 0.00 1.81 2.00 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.52 7.81 89 Q 7.63 4.29 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.19 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 90 H 8.05 4.87 0.00 2.95 3.31 0.00 5.79 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.88 4.88 0.00 3.32 3.05 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.38 0.00 1.82 1.98 0.00 3.35 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 93 Y 7.13 4.79 0.00 2.90 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 94 Q 8.75 4.18 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.26 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 95 T 7.42 4.61 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 1.28 0.00 0.00 96 P 0.00 4.50 0.00 1.95 1.45 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 97 E 8.59 4.04 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 2.56 2.36 0.00 98 L 8.43 4.71 0.00 1.49 1.53 0.87 0.85 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 99 L 8.80 4.73 0.00 1.59 1.54 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.52 4.43 2.09 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 0.80 0.00 0.00 0.93 0.00 0.00 101 L 8.90 4.73 0.00 1.65 1.52 0.93 0.71 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 0.00 102 P 0.00 4.69 0.00 1.26 1.88 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 103 V 8.07 4.36 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 1.12 0.00 0.00 0.97 0.00 0.00 104 R 8.72 4.45 0.00 2.45 2.10 0.00 3.30 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 105 D 7.61 4.43 0.00 2.66 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 0.00 106 G 8.11 4.09 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 0.00 0.00 0.00 107 D 8.41 4.44 0.00 2.84 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 0.00 108 K 8.88 3.87 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.59 7.81 109 D 8.22 4.42 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 0.00 110 Y 8.55 4.18 0.00 3.13 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 0.00 111 L 8.56 3.97 0.00 1.89 1.74 1.06 0.92 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 0.00 112 S 8.28 4.09 0.00 4.09 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 0.00 113 W 8.14 4.03 0.00 3.38 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 0.00 114 L 7.76 3.09 0.00 1.28 1.60 0.95 0.91 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 0.00 115 N 8.27 4.32 0.00 2.81 2.78 0.00 0.00 6.97 7.30 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 0.00 116 A 7.80 3.96 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 0.00 117 S 6.96 4.01 0.00 3.24 3.43 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 0.00 118 L 6.38 4.29 0.00 1.32 0.90 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.94 4.06 0.00 1.69 1.62 0.89 0.76 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