NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7432 8.0632 120.4251 55.4969 33.9824 174.0384 2 K 4.9024 9.0318 124.5605 53.6834 36.8984 173.2994 3 K 4.8922 10.2451 126.5954 55.0762 34.9709 174.7845 4 I 4.8302 8.9592 128.4765 59.8442 39.4351 174.2818 5 E 5.1054 9.5224 128.0213 54.8564 31.4714 175.1614 6 A 5.0149 9.1820 127.0312 50.1603 21.6800 174.9153 7 I 4.7088 8.5181 124.5717 61.1299 38.6263 175.6755 8 I 4.9078 8.7703 120.0792 58.8914 42.0870 174.6054 9 R 4.3064 8.2398 121.2208 55.2263 30.8025 176.0592 10 P 4.2450 0.0000 0.0000 65.7930 31.1577 178.5393 11 F 4.4744 8.1264 111.0461 58.9035 38.1941 176.6267 12 K 3.9276 7.4814 118.6179 56.9129 31.8682 178.0992 13 L 3.8609 7.5919 122.0080 58.6227 41.9277 178.5215 14 D 4.3345 8.0971 117.7376 57.5407 40.9021 178.4656 15 E 3.9560 8.1085 119.1721 59.0458 29.6156 178.9083 16 V 3.4860 8.0156 118.4916 65.8286 31.6278 177.5493 17 K 3.7956 8.6639 120.0630 59.8507 31.8389 178.4031 18 I 3.6511 7.8591 119.2494 64.3176 37.0840 178.0024 19 A 3.9885 7.7327 120.9622 55.4523 18.1926 179.6652 20 L 3.9382 8.2532 117.6182 58.0313 41.6774 180.0411 21 V 3.7054 8.1824 118.5007 66.0223 31.2098 177.8480 22 N 4.4647 8.4569 115.6460 55.5277 38.4100 176.2113 23 A 4.4266 7.7916 120.3086 50.9647 19.0711 177.0627 24 G 3.8776 7.8300 105.8992 47.4308 0.0000 175.7871 25 I 4.2973 7.8818 121.5583 59.5479 36.4058 176.2692 26 V 3.8007 8.0649 117.9398 62.7693 32.1242 177.2391 27 G 3.9728 7.8322 109.2907 43.7424 0.0000 171.9301 28 M 5.0778 8.0116 121.5786 53.6490 34.6485 175.0435 29 T 4.7033 8.9480 114.9844 60.3043 71.0368 172.5277 30 V 5.0278 8.4684 127.1475 61.1361 34.2307 174.5369 31 S 4.8387 8.9872 120.9963 56.5893 66.9891 172.4938 32 E 4.7471 8.7193 120.6213 55.6242 30.3591 175.8842 33 V 4.6652 8.6983 116.9395 59.5976 36.6808 174.4488 34 R 5.1235 8.6473 119.5897 54.6273 32.9600 175.7636 35 G 4.4174 8.8645 110.2800 44.3465 0.0000 172.4730 36 F 4.8532 8.9960 123.6274 57.5838 40.2104 176.2331 37 G 3.8111 6.1223 109.5969 46.5435 0.0000 172.3941 38 R 4.3301 8.6096 118.0536 58.1759 36.6627 177.0012 39 Q 3.6435 7.9824 112.3295 55.6360 25.3084 174.1745 *44 E 4.0571 7.7766 118.1955 57.0372 30.5534 174.3842 45 R 5.0393 8.0306 114.6568 55.0184 32.4013 173.0691 46 Y 4.7660 7.9577 115.5375 57.6592 40.5021 176.7215 47 R 4.1493 7.7930 117.8050 56.1994 29.8718 172.4122 48 G 3.7560 8.5092 110.4846 46.8731 0.0000 170.6136 49 S 4.5768 8.1548 120.6802 57.0643 64.0538 172.1031 50 E 5.3204 8.4537 119.6581 54.9467 31.6945 174.5014 51 Y 5.0110 8.8511 118.7421 56.1827 41.6860 173.6616 52 T 4.7279 8.6827 113.8026 60.0707 70.4812 173.2886 53 V 4.5506 8.3346 125.9688 60.1211 33.0530 175.1107 54 E 4.1553 8.9086 123.9267 56.9264 31.2850 175.4625 55 F 5.1455 8.3192 117.2888 55.7956 41.1682 174.7276 56 L 4.7412 8.6117 124.6399 52.8050 43.9069 176.3552 57 Q 4.4382 8.8676 121.9332 56.7946 29.2983 175.9247 58 K 4.8345 9.3365 122.9379 54.5306 37.1840 175.0133 59 L 5.1854 8.8673 120.8075 52.9553 45.1380 176.0614 60 K 4.8380 9.2671 125.1723 54.7464 33.7437 174.8393 61 L 4.7294 8.7968 129.1599 54.3775 43.1040 175.9729 62 E 5.2887 9.7178 124.1113 54.5130 32.3389 175.2077 63 I 4.9942 8.7680 117.1328 59.1905 41.6579 174.4156 64 V 4.9506 8.3727 116.0032 59.9417 34.3350 175.2301 65 V 4.6140 8.8393 117.0981 59.6673 36.9770 174.5936 66 E 4.4711 8.6176 120.5456 55.9671 30.5755 178.0165 67 D 4.3565 8.7871 120.9035 57.6025 41.2465 179.1008 68 A 4.1116 8.0411 120.6854 55.3305 18.6372 179.2806 69 Q 4.1264 8.0446 114.2762 58.5019 28.5639 178.3345 70 V 3.5356 7.3138 118.5116 66.5710 31.4886 177.3580 71 D 4.4190 8.1722 117.3913 57.9880 40.7200 179.3337 72 T 3.8189 7.7838 115.2148 66.7232 68.6479 176.5791 73 V 3.5877 8.0129 120.3077 66.2039 31.3357 178.0675 74 I 3.6305 8.1472 119.6203 64.6580 37.0513 178.0462 75 D 4.3456 7.8966 119.0397 57.4120 40.6123 179.2587 76 K 4.0024 8.2062 118.9059 59.3918 31.9819 179.5198 77 I 3.6521 7.7139 120.1156 64.3138 37.0582 178.3405 78 V 3.4986 7.9665 118.9474 66.0928 31.1050 177.5264 79 A 3.9706 7.8035 118.9120 55.4259 18.2585 179.2174 80 A 4.0263 7.8215 117.3876 55.0985 18.5947 179.1692 81 A 4.1643 8.1000 117.8993 52.7058 19.5275 178.2184 82 R 4.2877 7.3169 113.8464 56.6245 30.2161 176.6399 83 T 4.5843 8.6953 108.5206 61.6604 69.7850 174.7316 84 G 4.1808 8.5874 115.4781 46.4330 0.0000 174.7468 85 E 4.4060 7.6347 116.9935 53.8286 31.2006 175.9534 86 I 3.7399 7.8753 112.9341 62.0303 37.9530 176.3714 87 G 4.0318 8.7681 109.7054 45.3486 0.0000 174.3119 88 D 4.3032 7.8002 119.5818 56.0823 41.1884 175.5000 89 G 3.9251 9.0063 102.2403 44.7233 0.0000 171.8827 90 K 4.5706 8.1530 115.8002 55.5739 36.4989 175.0220 91 I 4.8799 7.6899 120.4428 59.5376 40.4536 174.8056 92 F 4.8944 9.4175 126.2021 55.6865 41.3310 174.6824 93 V 5.0082 8.5669 123.8178 61.2655 33.0425 174.7639 94 S 4.9415 9.1727 121.9854 55.8884 66.8692 171.6803 95 P 4.8376 0.0000 0.0000 62.8451 32.5338 175.6792 96 V 4.3673 8.3221 120.1775 61.8880 34.0704 174.8014 97 D 4.5307 9.0690 128.1895 57.1476 41.2177 175.9278 98 Q 5.0698 7.4912 113.2574 55.3340 31.4355 173.5922 99 T 4.7586 8.5886 110.4338 60.0256 71.8311 172.8223 100 I 5.2380 8.2642 123.7363 58.5091 40.9429 174.5123 101 R 4.4298 8.3567 125.7612 55.0426 30.7923 177.2333 102 I 3.7926 8.4804 127.2586 64.3750 37.5909 178.3111 103 R 4.0512 8.0994 119.5026 58.5215 30.1904 176.8454 104 T 4.3213 7.6958 102.9401 61.2621 70.5647 175.1151 105 G 3.9020 8.6463 108.9204 44.7539 0.0000 172.7048 106 E 4.1689 8.0451 120.3191 55.8371 30.2118 176.2116 107 K 4.5450 8.6322 125.1381 55.7479 33.4964 175.8968 108 N 5.0579 8.9306 123.6146 51.8320 41.1062 173.2450 109 A 4.7862 8.4985 125.9141 51.2045 22.9085 175.6446 110 D 4.6704 7.8925 115.5563 55.0585 41.6438 174.2097 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 8.06 4.74 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.43 0.00 2 K 9.03 4.90 0.00 1.70 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.65 7.81 3 K 10.25 4.89 0.00 1.78 1.67 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.52 7.81 4 I 8.96 4.83 1.88 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 1.24 0.85 0.92 0.00 0.00 5 E 9.52 5.11 0.00 2.11 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 2.32 0.00 6 A 9.18 5.01 1.19 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 0.00 0.00 7 I 8.52 4.71 1.94 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.97 0.00 0.00 8 I 8.77 4.91 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.87 0.00 0.00 9 R 8.24 4.31 0.00 1.43 1.83 0.00 3.14 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 10 P 0.00 4.25 0.00 2.23 2.15 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 11 F 8.13 4.47 0.00 3.16 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 12 K 7.48 3.93 0.00 1.61 1.64 0.00 1.71 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.30 1.28 7.81 13 L 7.59 3.86 0.00 1.87 1.69 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.10 4.33 0.00 2.83 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 15 E 8.11 3.96 0.00 2.04 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 2.37 2.37 0.00 16 V 8.02 3.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 17 K 8.66 3.80 0.00 1.89 2.02 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 18 I 7.86 3.65 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 1.46 0.66 0.91 0.00 0.00 19 A 7.73 3.99 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 20 L 8.25 3.94 0.00 1.79 1.73 0.91 0.74 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 21 V 8.18 3.71 2.26 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 1.03 0.00 0.00 0.98 0.00 0.00 22 N 8.46 4.46 0.00 2.88 2.86 0.00 0.00 6.99 6.95 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 23 A 7.79 4.43 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 24 G 7.83 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 25 I 7.88 4.30 1.96 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 1.52 0.94 0.91 0.00 0.00 26 V 8.06 3.80 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 0.68 0.00 0.00 0.93 0.00 0.00 27 G 7.83 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 28 M 8.01 5.08 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 29 T 8.95 4.70 4.24 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 1.30 0.00 0.00 30 V 8.47 5.03 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 0.91 0.00 0.00 0.93 0.00 0.00 31 S 8.99 4.84 0.00 3.88 3.89 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 32 E 8.72 4.75 0.00 1.88 1.95 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 2.28 2.34 0.00 33 V 8.70 4.67 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 0.79 0.00 0.00 1.04 0.00 0.00 34 R 8.65 5.12 0.00 1.71 2.01 0.00 3.59 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 35 G 8.86 4.42 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 0.00 36 F 9.00 4.85 0.00 2.94 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 37 G 6.12 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 38 R 8.61 4.33 0.00 1.59 1.78 0.00 3.31 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.40 0.00 39 Q 7.98 3.64 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.57 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 *44 E 7.78 4.06 0.00 1.35 1.77 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 2.15 2.08 0.00 45 R 8.03 5.04 0.00 1.91 1.89 0.00 3.07 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 46 Y 7.96 4.77 0.00 3.17 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 47 R 7.79 4.15 0.00 1.70 1.52 0.00 2.43 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 48 G 8.51 3.76 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 0.00 0.00 0.00 49 S 8.15 4.58 0.00 3.93 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 50 E 8.45 5.32 0.00 2.15 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 0.00 2.19 2.37 0.00 51 Y 8.85 5.01 0.00 2.94 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 52 T 8.68 4.73 4.22 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 1.26 0.00 0.00 53 V 8.33 4.55 2.35 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 0.89 0.00 0.00 1.07 0.00 0.00 54 E 8.91 4.16 0.00 1.94 1.81 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 2.28 2.37 0.00 55 F 8.32 5.15 0.00 2.96 3.02 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 0.00 0.00 0.00 56 L 8.61 4.74 0.00 1.67 1.62 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.87 4.44 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 58 K 9.34 4.83 0.00 1.74 1.70 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.60 7.81 59 L 8.87 5.19 0.00 1.53 1.52 0.93 1.13 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 60 K 9.27 4.84 0.00 1.81 1.72 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 61 L 8.80 4.73 0.00 1.77 1.58 0.91 0.77 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 62 E 9.72 5.29 0.00 1.86 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 0.00 2.24 2.23 0.00 63 I 8.77 4.99 1.87 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 1.24 0.96 0.91 0.00 0.00 64 V 8.37 4.95 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 0.76 0.00 0.00 0.93 0.00 0.00 65 V 8.84 4.61 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 0.74 0.00 0.00 0.94 0.00 0.00 66 E 8.62 4.47 0.00 2.08 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 2.40 2.39 0.00 67 D 8.79 4.36 0.00 2.74 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 68 A 8.04 4.11 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 69 Q 8.04 4.13 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 70 V 7.31 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 71 D 8.17 4.42 0.00 2.80 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 72 T 7.78 3.82 4.39 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 1.21 0.00 0.00 73 V 8.01 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 74 I 8.15 3.63 2.02 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 1.50 0.59 0.88 0.00 0.00 75 D 7.90 4.35 0.00 2.82 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 76 K 8.21 4.00 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 77 I 7.71 3.65 1.99 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 1.39 0.80 0.88 0.00 0.00 78 V 7.97 3.50 2.21 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 0.98 0.00 0.00 0.97 0.00 0.00 79 A 7.80 3.97 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 0.00 0.00 0.00 0.00 0.00 80 A 7.82 4.03 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 81 A 8.10 4.16 1.24 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 0.00 0.00 82 R 7.32 4.29 0.00 1.93 2.10 0.00 3.01 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 83 T 8.70 4.58 4.34 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 1.33 0.00 0.00 84 G 8.59 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.63 4.41 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 86 I 7.88 3.74 1.85 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 1.33 0.57 0.89 0.00 0.00 87 G 8.77 4.03 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 0.00 0.00 0.00 88 D 7.80 4.30 0.00 2.66 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 89 G 9.01 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 0.00 0.00 0.00 90 K 8.15 4.57 0.00 1.30 1.70 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.18 7.81 91 I 7.69 4.88 1.74 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 1.26 0.56 0.88 0.00 0.00 92 F 9.42 4.89 0.00 2.93 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 93 V 8.57 5.01 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 9.17 4.94 0.00 3.86 3.91 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 95 P 0.00 4.84 0.00 2.10 2.09 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 96 V 8.32 4.37 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 0.78 0.00 0.00 0.96 0.00 0.00 97 D 9.07 4.53 0.00 2.78 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 98 Q 7.49 5.07 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 99 T 8.59 4.76 4.24 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 1.21 0.00 0.00 100 I 8.26 5.24 1.87 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 1.21 1.47 0.91 0.00 0.00 101 R 8.36 4.43 0.00 1.89 1.78 0.00 3.18 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 102 I 8.48 3.79 1.87 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 1.30 0.68 0.91 0.00 0.00 103 R 8.10 4.05 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.70 4.32 4.24 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 1.25 0.00 0.00 105 G 8.65 3.90 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 0.00 0.00 0.00 106 E 8.05 4.17 0.00 1.89 1.92 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 2.33 2.29 0.00 107 K 8.63 4.55 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.49 7.81 108 N 8.93 5.06 0.00 2.76 2.65 0.00 0.00 6.48 8.03 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 0.00 109 A 8.50 4.79 1.19 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 0.00 0.00 110 D 7.89 4.67 0.00 2.88 2.65 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 * Residues marked with a * may have inaccurate shift predictions.