NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4624 0.0000 0.0000 62.3478 33.0253 175.7518 6 T 4.0991 8.7278 123.1649 63.0338 69.7063 172.2945 7 K 4.8287 10.3799 128.3107 55.8435 33.8942 176.0636 8 V 3.8285 8.5892 128.0449 60.8954 35.0963 173.7326 *10 V 4.1496 8.1340 118.5839 62.8703 32.7118 174.7894 11 A 4.7782 8.5525 130.5956 51.2509 19.0961 176.7813 12 V 4.4994 8.6200 116.4977 59.6965 35.5595 174.6852 13 N 5.0781 8.3803 119.3627 51.6493 41.2578 172.7788 14 A 4.8356 8.4152 120.3390 50.8877 20.1100 177.4603 15 S 4.3700 8.6739 115.3904 58.4163 63.0635 174.4604 16 T 4.3847 8.2990 115.4390 62.0008 69.8837 175.3635 17 I 4.2266 7.6470 114.2131 61.9924 39.1803 176.5259 18 K 4.1479 7.9487 119.8163 55.3030 32.7725 176.5043 19 D 4.4742 8.4825 121.7502 54.2768 41.8306 175.1608 20 Y 4.3554 8.4179 125.5588 57.2907 39.3652 173.4684 21 P 3.8226 0.0000 0.0000 62.1035 31.7756 175.4464 22 N 3.9981 7.6477 117.4604 52.9855 38.8464 173.2781 23 P 4.7155 0.0000 0.0000 62.0068 32.3927 176.2865 24 S 4.4351 8.6971 114.6866 58.4989 63.5545 175.6020 25 I 3.7348 8.4736 123.7040 64.6683 36.7006 179.1194 26 S 4.1605 8.4058 115.4137 61.5453 62.9052 176.2956 27 C 4.1619 8.3489 118.1428 60.3711 29.4956 175.9371 28 K 4.3044 8.1626 122.5069 59.4850 31.9085 178.6521 29 R 3.9882 8.4336 119.1395 59.4456 30.0248 177.9472 30 A 4.0510 8.2837 120.6968 55.3708 18.3475 179.3690 31 F 4.0558 8.6324 118.9546 61.6775 39.5060 177.2035 32 E 4.0092 9.1107 118.6569 59.0709 29.1972 179.2010 33 W 4.0022 8.9348 128.8242 60.7407 30.7644 178.0710 34 T 3.8162 8.2860 115.6792 66.7170 67.9141 176.5904 35 L 3.6870 7.5281 120.7285 57.4532 41.3579 179.1053 36 E 3.7115 7.9281 118.2900 59.1149 29.7321 178.3774 37 K 3.8613 7.7054 116.3707 57.0841 32.6195 178.1632 38 I 3.9322 6.9225 118.4187 63.1976 38.4300 177.9471 39 V 2.6803 7.0404 118.3131 64.8176 31.6706 176.3748 40 R 3.4398 7.9641 118.4109 57.6046 29.1673 177.6821 41 S 4.3515 8.6187 117.6168 60.5684 64.1938 174.9735 42 N 4.7632 8.0608 122.4509 52.5423 36.7162 175.8403 43 T 4.2559 7.6344 108.4628 63.5628 70.0045 176.8820 44 S 4.3899 7.9727 116.8695 60.1418 63.4627 174.5107 45 D 4.3849 7.9956 119.8568 55.2499 41.0215 175.7537 46 F 5.4074 7.7265 116.3228 55.4871 43.4844 173.9412 47 K 4.8050 9.3821 122.5081 54.8597 35.4611 174.8431 48 I 4.7300 8.7372 128.5031 60.3459 38.8496 174.6365 49 L 5.1781 9.1470 128.2546 53.2887 43.2081 175.9165 50 L 4.5728 9.4402 126.2253 52.9217 43.6796 175.5149 51 L 4.1536 8.2206 126.1735 53.0799 44.7498 174.2655 52 H 5.2376 8.4767 126.0732 53.5281 32.4234 172.8043 53 V 4.6090 7.9501 125.0963 61.2332 33.2153 174.2374 54 Q 4.4524 8.9880 129.9707 54.1326 30.9214 175.9563 55 V 3.8294 8.0721 126.3373 62.8540 32.0451 176.1883 *66 S 3.9147 7.9504 113.2728 57.9207 62.1882 171.9490 67 I 4.4077 7.6915 127.8442 59.3428 39.1370 175.0075 68 Y 4.3921 8.5320 121.5335 56.1617 40.0089 175.3074 69 A 4.7739 8.9581 126.2755 51.8538 21.2164 175.6932 70 S 4.7723 7.7832 108.8080 56.2017 66.0139 173.4504 71 P 4.5264 0.0000 0.0000 66.0713 31.5997 178.6021 72 E 4.0402 8.4687 117.3101 59.7737 29.0448 179.0281 73 D 4.3959 7.9321 117.5224 57.2181 40.8544 178.4409 74 F 4.4050 8.0939 117.5887 60.0707 39.1338 177.8495 75 R 4.2024 8.0867 117.5672 59.1817 29.7054 179.3468 76 D 4.4437 7.7590 114.5582 55.1580 40.7610 177.6778 *78 R 4.3291 7.9508 120.6025 56.3263 31.9476 176.1684 79 Q 4.1164 7.6199 117.0640 54.9653 27.1424 175.2737 80 S 4.5294 7.6006 113.5688 56.2893 65.8256 176.3504 81 N 4.1945 8.5597 122.3156 55.2883 38.2949 177.4664 82 K 4.2361 8.2933 122.6024 59.0068 32.3508 178.3632 83 A 4.0393 7.9479 120.4213 55.1588 18.5642 179.4763 84 K 4.3296 8.8692 117.9540 59.5594 32.0979 179.6863 85 G 3.6369 9.4550 106.1235 47.8026 0.0000 175.7688 86 L 4.0513 8.1244 122.3948 57.5830 41.7788 179.2675 87 H 4.2296 8.6293 115.4242 58.4682 27.9670 177.5666 88 L 3.7300 7.0113 122.0422 57.9689 41.9558 178.7882 89 L 4.1060 7.7816 118.9540 57.9364 41.5948 179.1464 90 E 3.9263 8.6194 119.5875 59.0438 29.4553 178.4777 91 F 3.7818 8.0190 120.4843 61.5030 39.3321 177.2906 92 F 3.8150 7.6736 116.9390 60.1566 38.5540 178.0357 93 V 3.6822 8.0801 118.2050 66.0248 31.3052 177.8924 94 N 4.3152 8.1668 116.3314 56.1171 38.4935 177.4932 95 K 4.2562 7.5518 120.8445 59.1650 32.1756 179.2125 96 C 4.3715 8.5362 117.0916 63.1160 28.0839 175.5901 97 H 4.1730 8.6321 120.1719 59.2830 29.2178 177.0492 98 E 3.9693 8.4271 120.6563 58.9614 29.1751 178.5221 99 I 4.3190 7.2664 108.4409 60.2706 38.1912 176.2604 100 G 3.8414 7.6136 108.2144 46.1866 0.0000 173.5609 101 V 4.0746 7.7192 113.1281 59.8683 32.5545 176.7345 102 G 4.0047 8.7889 112.9084 46.9391 0.0000 171.9162 103 C 5.5629 8.4917 116.6412 56.9036 33.1050 172.8519 104 E 5.0446 9.5330 118.4226 54.7541 33.4384 174.7499 105 A 5.4480 8.7555 123.6642 50.4073 22.6009 174.9491 106 W 5.0763 8.7114 117.0436 55.9400 32.2586 173.0519 107 I 5.0446 8.5877 120.5472 59.5383 39.2920 175.3139 108 K 4.8689 8.7323 124.3826 54.9792 36.2949 174.9234 109 T 4.8893 9.2505 117.4544 62.5299 70.9427 174.7827 110 G 3.5772 7.8229 110.7801 44.6291 0.0000 172.7784 111 D 4.3598 8.5962 121.3532 53.2798 42.0055 175.6074 112 P 4.1713 0.0000 0.0000 65.8158 31.3097 178.6711 113 K 3.9239 7.8297 116.7373 59.8899 32.5103 178.7361 114 D 4.3316 7.5431 119.3078 57.1067 40.7740 179.0035 115 V 3.5976 8.0792 119.0429 65.9399 31.4447 177.8860 116 I 3.6889 8.0181 119.9143 64.8021 37.1104 178.1178 117 C 4.2194 7.9497 117.3795 63.0854 28.1057 176.2583 118 Q 4.0985 8.4818 119.9445 59.0620 28.1713 178.7940 119 E 4.1594 8.9099 120.0605 59.1434 29.5049 179.3503 120 V 3.6763 8.2079 119.0215 65.9259 31.4348 177.9867 121 K 4.2117 7.8828 115.9075 58.7339 32.7124 178.6117 122 R 4.1274 7.5882 119.4117 58.9861 30.4053 177.7262 123 V 3.8277 8.1445 116.2518 62.4602 33.1114 175.7343 124 R 3.8355 7.8617 116.5945 56.5892 27.6407 173.5534 125 P 4.6159 0.0000 0.0000 62.4618 32.8707 177.1096 126 D 4.8008 9.1116 119.9663 57.2332 41.1631 176.5465 127 F 5.2398 7.9530 110.2963 55.6398 41.6727 173.2648 128 L 4.6796 9.3386 121.5384 53.2219 44.6962 174.8764 129 V 4.7677 8.2640 125.6305 61.3855 33.8113 174.6138 130 V 4.7724 8.2700 119.9758 59.4081 35.8859 175.7265 131 G 4.5624 8.6301 111.3555 46.7901 0.0000 172.3751 132 S 4.7665 8.1120 112.2945 57.3698 65.2556 175.2308 133 R 4.0662 8.9472 125.0220 56.5478 30.4996 176.3905 134 G 3.8078 7.6724 105.3563 46.7504 0.0000 174.0460 135 L 4.3414 7.9242 115.6264 53.6263 41.2128 176.9567 136 G 3.7634 7.4114 114.9464 46.4724 0.0000 174.9696 *145 T 4.2485 6.6983 110.3553 60.9597 71.4416 176.3573 146 V 3.5876 7.8724 119.3575 65.2513 32.5001 178.2660 147 S 4.1495 8.0897 113.3825 61.5238 62.8293 176.1223 148 A 4.0237 7.9919 123.9801 54.7049 18.2092 179.2678 149 F 4.0466 8.3109 119.0732 61.4967 39.5162 177.2562 150 C 4.2323 8.4557 116.4596 62.8968 27.7622 176.0318 151 V 3.6036 7.4294 118.1542 66.1737 31.0807 177.9648 152 K 3.9872 7.6258 116.4377 59.0648 31.9647 177.6502 153 H 4.5929 7.6646 113.5330 55.9812 30.8743 174.9611 154 A 4.1404 8.1088 122.0941 52.8491 18.5909 177.0417 155 E 4.6515 8.5359 121.1188 55.9085 30.2123 175.5651 156 C 4.8541 7.7304 111.0150 56.1321 33.0575 171.8674 157 P 4.3425 0.0000 0.0000 63.8260 32.0772 175.8954 158 V 5.0917 7.8068 121.8238 60.6690 34.9319 173.6549 *160 T 4.3057 8.4025 115.0409 63.8034 69.8399 173.6060 161 I 4.1864 8.3910 127.0833 59.3351 39.8339 175.6083 162 K 4.9815 8.3080 126.2466 54.5761 33.4632 177.2063 163 R 4.1937 8.3190 120.5823 55.7339 31.0894 176.7451 164 N 4.5031 9.0664 117.6100 53.0660 39.2815 176.4740 165 A 4.0019 8.6893 124.0300 55.3533 18.5602 178.9617 166 D 4.7571 8.0265 112.3010 53.9019 39.8918 176.3232 167 E 4.5759 7.9303 116.1562 56.1910 30.3683 175.6683 168 T 4.2457 7.6114 117.7095 62.1098 68.7758 173.1873 169 P 4.4685 0.0000 0.0000 62.1746 32.0939 176.6755 170 S 4.0982 8.6798 115.3040 61.0532 63.2397 174.0492 171 D 4.6371 7.8897 121.5429 51.9077 40.8578 174.8671 172 P 4.2955 0.0000 0.0000 65.2208 31.5959 177.9917 173 A 4.1187 8.0281 120.6709 54.7269 18.4911 177.9007 174 D 4.5544 7.7019 114.7955 54.6842 41.8009 176.0096 175 D 4.1553 8.3067 119.1651 55.1614 41.9960 175.5052 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 5 P 0.00 4.46 0.00 1.94 2.03 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 6 T 8.73 4.10 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 1.60 0.00 0.00 7 K 10.38 4.83 0.00 1.71 1.80 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 8 V 8.59 3.83 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 0.30 0.00 0.00 0.89 0.00 0.00 *10 V 8.13 4.15 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 0.84 0.00 0.00 0.92 0.00 0.00 11 A 8.55 4.78 1.17 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 0.00 0.00 12 V 8.62 4.50 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 -0.09 0.00 0.00 0.88 0.00 0.00 13 N 8.38 5.08 0.00 2.74 2.90 0.00 0.00 6.01 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 14 A 8.42 4.84 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 15 S 8.67 4.37 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 16 T 8.30 4.38 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 17 I 7.65 4.23 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 1.49 0.69 0.91 0.00 0.00 18 K 7.95 4.15 0.00 1.72 1.73 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.35 7.81 19 D 8.48 4.47 0.00 2.67 2.53 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 20 Y 8.42 4.36 0.00 2.93 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 21 P 0.00 3.82 0.00 1.92 0.88 0.00 3.50 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 22 N 7.65 4.00 0.00 2.80 2.61 0.00 0.00 6.79 7.96 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 23 P 0.00 4.72 0.00 2.21 1.93 0.00 2.97 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.48 0.00 24 S 8.70 4.44 0.00 4.18 4.25 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 25 I 8.47 3.73 2.02 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 1.58 0.84 1.00 0.00 0.00 26 S 8.41 4.16 0.00 4.14 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 0.00 27 C 8.35 4.16 0.00 3.27 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 28 K 8.16 4.30 0.00 2.10 2.08 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.77 1.76 7.81 29 R 8.43 3.99 0.00 2.13 2.17 0.00 3.46 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 30 A 8.28 4.05 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 31 F 8.63 4.06 0.00 3.11 3.50 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 0.00 0.00 0.00 0.00 32 E 9.11 4.01 0.00 2.17 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 2.78 2.80 0.00 33 W 8.93 4.00 0.00 3.46 3.41 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 34 T 8.29 3.82 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 1.17 0.00 0.00 35 L 7.53 3.69 0.00 1.48 1.51 0.61 0.51 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 36 E 7.93 3.71 0.00 2.01 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 2.16 2.25 0.00 37 K 7.71 3.86 0.00 0.79 0.99 0.00 1.46 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.46 0.32 7.81 38 I 6.92 3.93 1.71 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 1.11 0.95 0.69 0.00 0.00 39 V 7.04 2.68 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 1.05 0.00 0.00 0.40 0.00 0.00 40 R 7.96 3.44 0.00 1.92 1.62 0.00 3.12 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 41 S 8.62 4.35 0.00 3.98 3.96 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 42 N 8.06 4.76 0.00 3.13 3.17 0.00 0.00 6.67 6.35 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 43 T 7.63 4.26 4.28 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 1.33 0.00 0.00 44 S 7.97 4.39 0.00 3.89 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 45 D 8.00 4.38 0.00 2.75 1.85 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 46 F 7.73 5.41 0.00 2.86 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 47 K 9.38 4.81 0.00 1.79 1.66 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.60 7.81 48 I 8.74 4.73 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 1.09 0.00 0.00 49 L 9.15 5.18 0.00 1.60 2.05 1.04 1.38 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 50 L 9.44 4.57 0.00 1.49 1.42 1.04 -0.72 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 51 L 8.22 4.15 0.00 0.82 1.09 0.32 0.41 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 52 H 8.48 5.24 0.00 3.22 3.05 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.95 4.61 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 0.78 0.00 0.00 0.83 0.00 0.00 54 Q 8.99 4.45 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 55 V 8.07 3.83 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 0.82 0.00 0.00 0.93 0.00 0.00 *66 S 7.95 3.91 0.00 3.86 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 67 I 7.69 4.41 1.74 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 1.38 0.68 0.87 0.00 0.00 68 Y 8.53 4.39 0.00 2.85 2.37 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 69 A 8.96 4.77 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 70 S 7.78 4.77 0.00 4.02 3.96 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 71 P 0.00 4.53 0.00 2.26 2.21 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 72 E 8.47 4.04 0.00 2.00 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 2.44 2.38 0.00 73 D 7.93 4.40 0.00 2.76 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 74 F 8.09 4.41 0.00 3.20 3.06 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 75 R 8.09 4.20 0.00 2.08 2.00 0.00 3.29 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 76 D 7.76 4.44 0.00 2.78 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 *78 R 7.95 4.33 0.00 1.85 2.05 0.00 3.24 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 79 Q 7.62 4.12 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 80 S 7.60 4.53 0.00 3.98 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 81 N 8.56 4.19 0.00 2.78 2.95 0.00 0.00 6.77 7.68 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 82 K 8.29 4.24 0.00 1.85 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.41 7.81 83 A 7.95 4.04 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 84 K 8.87 4.33 0.00 1.84 2.02 0.00 1.39 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.51 1.52 7.81 85 G 9.45 3.64 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 0.00 0.00 0.00 86 L 8.12 4.05 0.00 1.85 1.77 0.99 1.30 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 87 H 8.63 4.23 0.00 3.31 3.70 0.00 5.26 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.01 3.73 0.00 1.80 1.71 0.88 0.34 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 89 L 7.78 4.11 0.00 2.01 1.76 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.62 3.93 0.00 2.14 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 2.29 2.32 0.00 91 F 8.02 3.78 0.00 3.07 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 92 F 7.67 3.81 0.00 3.08 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 93 V 8.08 3.68 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 1.16 0.00 0.00 1.06 0.00 0.00 94 N 8.17 4.32 0.00 2.73 2.72 0.00 0.00 7.01 7.19 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 95 K 7.55 4.26 0.00 2.05 2.21 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.25 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.94 1.04 7.81 96 C 8.54 4.37 0.00 3.26 3.33 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 97 H 8.63 4.17 0.00 3.35 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.43 3.97 0.00 2.26 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 2.31 2.37 0.00 99 I 7.27 4.32 1.86 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 1.47 0.58 0.95 0.00 0.00 100 G 7.61 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 0.00 101 V 7.72 4.07 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 0.74 0.00 0.00 0.98 0.00 0.00 102 G 8.79 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 0.00 103 C 8.49 5.56 0.00 3.14 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 0.00 104 E 9.53 5.04 0.00 2.10 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 2.28 2.31 0.00 105 A 8.76 5.45 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 0.00 106 W 8.71 5.08 0.00 3.46 3.34 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 0.00 107 I 8.59 5.04 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.95 0.00 0.00 108 K 8.73 4.87 0.00 1.69 1.73 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.70 1.87 7.81 109 T 9.25 4.89 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 1.21 0.00 0.00 110 G 7.82 3.58 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 0.00 0.00 0.00 111 D 8.60 4.36 0.00 2.73 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 0.00 112 P 0.00 4.17 0.00 2.11 2.03 0.00 3.56 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 113 K 7.83 3.92 0.00 1.60 1.86 0.00 0.81 0.00 0.00 1.53 0.00 0.00 2.25 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 0.28 7.81 114 D 7.54 4.33 0.00 2.78 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 0.00 115 V 8.08 3.60 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 1.05 0.00 0.00 0.98 0.00 0.00 116 I 8.02 3.69 1.91 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 1.47 0.58 0.94 0.00 0.00 117 C 7.95 4.22 0.00 3.28 3.11 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 0.00 118 Q 8.48 4.10 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 119 E 8.91 4.16 0.00 2.24 2.25 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 2.57 2.64 0.00 120 V 8.21 3.68 2.30 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 1.11 0.00 0.00 1.04 0.00 0.00 121 K 7.88 4.21 0.00 2.02 1.96 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.48 7.81 122 R 7.59 4.13 0.00 1.98 2.16 0.00 3.25 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 123 V 8.14 3.83 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 0.97 0.00 0.00 0.91 0.00 0.00 124 R 7.86 3.84 0.00 1.99 1.95 0.00 3.24 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 125 P 0.00 4.62 0.00 2.43 2.13 0.00 4.01 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 2.05 2.05 0.00 126 D 9.11 4.80 0.00 2.88 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 0.00 127 F 7.95 5.24 0.00 3.14 2.94 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 0.00 128 L 9.34 4.68 0.00 1.78 1.75 0.91 0.89 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 0.00 129 V 8.26 4.77 2.05 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 1.02 0.00 0.00 1.00 0.00 0.00 130 V 8.27 4.77 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 0.75 0.00 0.00 0.95 0.00 0.00 131 G 8.63 4.56 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 0.00 132 S 8.11 4.77 0.00 3.85 3.62 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 0.00 133 R 8.95 4.07 0.00 1.84 2.10 0.00 3.59 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 134 G 7.67 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 0.00 135 L 7.92 4.34 0.00 1.65 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.41 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 *145 T 6.70 4.25 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 1.20 0.00 0.00 146 V 7.87 3.59 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 0.89 0.00 0.00 147 S 8.09 4.15 0.00 4.09 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 0.00 148 A 7.99 4.02 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 0.00 149 F 8.31 4.05 0.00 3.37 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 0.00 150 C 8.46 4.23 0.00 3.22 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 0.00 151 V 7.43 3.60 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 0.80 0.00 0.00 0.97 0.00 0.00 152 K 7.63 3.99 0.00 1.67 1.25 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.45 7.81 153 H 7.66 4.59 0.00 2.74 3.08 0.00 5.67 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 0.00 154 A 8.11 4.14 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 0.00 155 E 8.54 4.65 0.00 2.00 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 0.00 2.27 2.31 0.00 156 C 7.73 4.85 0.00 3.02 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 0.00 157 P 0.00 4.34 0.00 2.20 2.04 0.00 3.84 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 2.18 2.14 0.00 158 V 7.81 5.09 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 1.24 0.00 0.00 1.02 0.00 0.00 *160 T 8.40 4.31 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 1.17 0.00 0.00 161 I 8.39 4.19 1.78 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 0.52 1.06 0.64 0.00 0.00 162 K 8.31 4.98 0.00 1.56 1.69 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.23 7.81 163 R 8.32 4.19 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 164 N 9.07 4.50 0.00 2.84 2.82 0.00 0.00 7.17 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.69 4.00 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 0.00 166 D 8.03 4.76 0.00 2.81 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 0.00 167 E 7.93 4.58 0.00 2.10 2.05 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 2.43 2.25 0.00 168 T 7.61 4.25 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 0.00 169 P 0.00 4.47 0.00 2.23 1.99 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 170 S 8.68 4.10 0.00 3.97 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 0.00 171 D 7.89 4.64 0.00 2.69 2.81 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 0.00 172 P 0.00 4.30 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 173 A 8.03 4.12 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 0.00 174 D 7.70 4.55 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 0.00 175 D 8.31 4.16 0.00 2.74 2.42 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 * Residues marked with a * may have inaccurate shift predictions.