NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9356 8.0544 120.3975 62.8174 32.7427 175.4030 2 D 4.5744 8.4265 126.5292 52.2213 41.3777 175.6167 3 F 3.8888 9.2265 129.0047 61.7224 39.9118 175.9096 4 A 3.8383 8.3169 119.1257 55.5167 18.3276 179.3427 5 F 4.0895 8.3300 118.4791 61.3173 39.3853 177.3603 6 E 3.8245 8.4362 118.4714 58.7570 29.2474 178.9558 7 L 3.6622 8.0634 123.2904 58.6314 42.0013 179.6880 8 K 3.7578 7.6733 123.5506 59.7525 31.4474 180.7852 9 K 3.8822 7.6662 120.4913 59.0339 32.0428 178.8338 10 A 4.0537 8.1003 121.5825 55.2153 18.0354 179.4145 11 Q 3.8372 7.9042 117.1456 58.9466 29.1230 177.5046 12 D 4.5415 7.4906 119.0658 55.6588 41.5313 177.3529 13 T 4.4494 8.1490 107.4236 61.2935 70.9627 175.4262 14 G 4.2329 7.7238 110.6890 45.6669 0.0000 174.2287 15 K 4.7052 9.3297 126.3820 54.8335 35.4020 175.6989 16 I 4.8947 8.4208 120.6119 58.9840 40.5375 174.7789 17 V 4.4602 8.7496 124.6697 61.4992 33.9327 174.1866 18 M 4.8511 8.6990 126.6154 54.6055 34.6909 176.1903 19 G 4.0426 9.0464 108.5946 45.0446 0.0000 174.9184 20 A 4.0458 8.6933 122.2176 54.8726 17.9104 180.2865 21 K 3.9158 7.9803 117.7336 59.5758 32.4088 179.0291 22 K 4.1150 8.0153 118.2176 59.1721 32.1864 179.3974 23 S 4.3578 8.1454 115.3993 61.5898 62.6653 176.6885 24 I 3.8264 8.0956 122.7356 64.3816 36.8460 178.4731 25 Q 3.8147 7.7159 117.7432 59.2987 28.5777 178.5338 26 Y 4.4758 8.2650 118.6723 60.3432 37.5786 178.7722 27 A 4.0516 7.8093 121.1384 54.8800 18.6377 179.2339 28 K 3.5244 7.9752 117.2766 59.4270 32.3659 178.1362 29 M 4.4104 8.2908 115.3385 54.1898 32.4599 176.8237 30 G 3.8136 7.9592 108.6508 44.5275 0.0000 174.1396 31 G 4.3049 9.0575 104.4575 45.1954 0.0000 173.5080 32 A 4.6038 7.5699 120.8401 50.1463 22.1029 176.1893 33 K 4.3229 8.6630 119.6958 58.1334 33.2151 177.1946 34 L 4.6751 7.4563 119.5255 54.0272 45.6285 173.4811 35 I 4.9984 8.7988 126.1269 59.5784 40.6144 174.3205 36 I 5.2118 8.8818 127.5259 59.6841 39.9463 175.0444 37 V 4.9846 8.6350 119.2992 59.2511 35.1913 175.4223 38 A 4.6770 9.3134 128.9510 52.4503 19.1897 179.6697 39 R 3.8570 8.8811 118.9521 58.8244 29.5607 178.7885 40 N 4.8927 7.9576 113.1670 52.2877 37.7051 174.8689 41 A 4.1718 7.5242 121.7171 52.1160 19.2487 179.0305 42 K 3.8650 8.6877 119.7755 56.5946 33.8881 176.4288 43 P 4.2403 0.0000 0.0000 65.6167 31.4864 178.1333 44 D 4.3883 8.2278 116.4473 57.7947 40.9695 178.7568 45 I 3.7836 7.6060 119.2321 64.2969 37.2353 178.4207 46 K 3.9692 8.1317 119.3337 59.3530 31.8213 178.7559 47 E 3.8919 8.2094 119.4412 59.5363 29.4855 178.5473 48 D 4.2718 7.9450 118.0921 57.5759 40.9039 178.9249 49 I 3.9048 7.8043 120.0819 64.6311 37.1408 178.4489 50 E 4.0232 8.3426 119.3851 59.3939 28.8948 178.6847 51 Y 4.0671 8.2286 119.7409 60.9179 38.7794 177.8604 52 Y 4.1194 8.2929 117.7049 61.1004 37.9831 178.2105 53 A 4.0955 8.6136 124.5454 55.7868 18.2983 180.4832 54 K 3.9671 8.0235 122.0719 59.9972 31.5680 181.6464 55 L 4.1491 7.2117 118.1083 57.5909 41.5842 179.4436 56 S 4.3586 8.2087 114.2378 58.9644 62.8446 174.8675 57 G 3.8421 7.4801 109.1956 46.4035 0.0000 172.9282 58 I 4.4263 7.8804 120.9776 58.5148 38.5805 174.3730 59 P 4.4387 0.0000 0.0000 62.7027 32.4861 175.2749 60 V 4.9180 8.4483 123.4440 61.2543 34.0032 173.8033 61 Y 4.7155 9.1626 128.9707 55.7620 41.5069 173.8245 62 E 4.6845 8.0921 128.0468 54.4729 30.0284 175.2218 63 F 4.0984 8.8362 133.7071 58.8271 39.8035 176.8062 64 E 3.4421 8.3096 122.3678 57.9606 29.9517 173.9112 65 G 3.6467 5.3800 106.3764 44.9300 0.0000 172.7831 66 T 4.9564 8.4282 110.6306 60.6961 71.6790 175.7438 67 S 4.3828 8.9606 117.8575 61.2675 62.7230 176.7964 68 V 3.6150 7.9535 120.5123 66.4328 31.1003 177.8238 69 E 4.1198 8.0525 116.7980 59.1166 29.1504 178.9153 70 L 3.6609 8.1073 119.8275 57.8373 42.3195 178.9662 71 G 4.1906 8.5145 107.2615 47.6401 0.0000 175.7043 72 T 4.0588 7.8722 114.3810 63.6959 68.3931 176.0455 73 L 4.0255 7.9628 122.2358 57.3025 42.0034 177.8346 74 L 4.6324 7.6880 117.4583 53.8079 41.8978 176.5407 75 G 3.9105 7.9910 106.0263 46.5655 0.0000 174.2318 76 K 4.5556 7.5910 117.4971 53.5237 35.2008 175.7088 77 P 4.3710 0.0000 0.0000 64.0856 31.9011 175.2995 78 H 5.0174 7.4339 114.1273 53.3798 31.2255 173.1222 79 T 4.5981 8.1975 108.9647 61.1308 69.9392 174.4558 80 V 4.3445 8.0299 122.0077 61.2880 33.8234 175.9264 81 S 4.5952 8.7614 122.4877 60.6780 64.5547 173.6743 82 A 5.1732 7.7242 119.7710 51.0283 22.2495 175.0612 83 L 5.1667 9.1024 119.5528 54.2312 44.8295 174.6223 84 A 4.9583 9.3142 122.1159 50.2166 21.8603 175.9088 85 V 4.0910 9.0116 123.7033 61.8775 31.5526 176.5547 86 V 3.5346 8.1733 128.7744 64.9504 32.5553 175.7807 87 D 4.7153 8.3901 120.3422 51.8758 43.7524 174.9460 88 P 4.4797 0.0000 0.0000 63.3401 32.6052 177.6620 89 G 3.6289 8.0179 109.8102 47.6761 0.0000 174.4886 90 E 4.4137 9.3059 120.9195 55.9473 29.6211 173.8239 91 S 4.9061 7.4737 114.1925 57.8867 65.5892 173.8247 92 R 4.5804 8.9825 116.7437 55.9860 30.3584 178.4088 93 I 3.7330 7.6238 120.7647 63.5749 38.0608 177.5614 94 L 4.2074 7.8051 118.3012 56.5691 41.8008 177.9019 95 A 4.0951 8.0662 121.9687 54.8708 18.4720 177.9963 96 L 3.7191 7.0672 113.1314 54.5534 42.6397 177.7793 *97 G 3.7274 8.4696 108.2737 46.0009 0.0000 172.8435 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 V 8.05 3.94 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 0.99 0.00 0.00 0.94 0.00 0.00 2 D 8.43 4.57 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 3 F 9.23 3.89 0.00 3.21 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 4 A 8.32 3.84 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.33 4.09 0.00 3.13 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 6 E 8.44 3.82 0.00 1.92 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 0.00 2.66 2.50 0.00 7 L 8.06 3.66 0.00 0.89 1.29 0.69 0.29 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 8 K 7.67 3.76 0.00 1.82 1.82 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.33 7.81 9 K 7.67 3.88 0.00 1.14 1.57 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.27 7.81 10 A 8.10 4.05 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 11 Q 7.90 3.84 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 12 D 7.49 4.54 0.00 2.52 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 13 T 8.15 4.45 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 1.15 0.00 0.00 14 G 7.72 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 0.00 0.00 0.00 0.00 15 K 9.33 4.71 0.00 1.69 1.56 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.35 7.81 16 I 8.42 4.89 1.87 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 1.16 0.80 0.82 0.00 0.00 17 V 8.75 4.46 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 1.12 0.00 0.00 0.95 0.00 0.00 18 M 8.70 4.85 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 19 G 9.05 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 0.00 0.00 0.00 20 A 8.69 4.05 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 21 K 7.98 3.92 0.00 1.85 1.83 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 22 K 8.02 4.12 0.00 1.93 2.01 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.54 7.81 23 S 8.15 4.36 0.00 3.99 3.99 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 0.00 0.00 0.00 24 I 8.10 3.83 2.10 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 1.66 0.89 0.99 0.00 0.00 25 Q 7.72 3.81 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 26 Y 8.27 4.48 0.00 3.16 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 27 A 7.81 4.05 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.98 3.52 0.00 1.03 1.67 0.00 1.13 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.13 0.65 7.81 29 M 8.29 4.41 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 30 G 7.96 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 31 G 9.06 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 0.00 0.00 0.00 32 A 7.57 4.60 0.96 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 0.00 0.00 33 K 8.66 4.32 0.00 1.68 1.85 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.49 7.81 34 L 7.46 4.68 0.00 1.73 1.43 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.80 5.00 1.94 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 1.25 0.69 1.05 0.00 0.00 36 I 8.88 5.21 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.00 1.16 0.00 0.00 37 V 8.63 4.98 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 0.81 0.00 0.00 0.95 0.00 0.00 38 A 9.31 4.68 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 39 R 8.88 3.86 0.00 1.84 1.86 0.00 3.26 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 40 N 7.96 4.89 0.00 2.82 2.92 0.00 0.00 5.98 7.26 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 41 A 7.52 4.17 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 42 K 8.69 3.86 0.00 1.82 1.80 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.59 7.81 43 P 0.00 4.24 0.00 2.15 2.10 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 44 D 8.23 4.39 0.00 2.78 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 45 I 7.61 3.78 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.96 0.00 0.00 46 K 8.13 3.97 0.00 1.82 1.87 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.60 7.81 47 E 8.21 3.89 0.00 2.21 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 2.24 2.33 0.00 48 D 7.95 4.27 0.00 2.87 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 49 I 7.80 3.90 2.08 0.00 0.00 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 1.64 0.93 1.00 0.00 0.00 50 E 8.34 4.02 0.00 2.07 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 2.37 2.62 0.00 51 Y 8.23 4.07 0.00 2.91 2.95 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 52 Y 8.29 4.12 0.00 3.16 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 53 A 8.61 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.97 0.00 1.81 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 L 7.21 4.15 0.00 1.69 1.68 0.81 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.21 4.36 0.00 3.99 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 57 G 7.48 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 58 I 7.88 4.43 1.91 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 1.39 0.68 0.99 0.00 0.00 59 P 0.00 4.44 0.00 2.11 2.01 0.00 3.75 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 2.13 2.11 0.00 60 V 8.45 4.92 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 0.88 0.00 0.00 0.99 0.00 0.00 61 Y 9.16 4.72 0.00 3.12 2.87 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 E 8.09 4.68 0.00 1.87 1.60 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 2.20 2.23 0.00 63 F 8.84 4.10 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 64 E 8.31 3.44 0.00 2.03 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 2.23 1.88 0.00 65 G 5.38 3.65 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 0.00 0.00 0.00 66 T 8.43 4.96 4.38 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 1.22 0.00 0.00 67 S 8.96 4.38 0.00 3.93 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 68 V 7.95 3.62 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 1.11 0.00 0.00 0.96 0.00 0.00 69 E 8.05 4.12 0.00 2.51 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 0.00 2.41 2.40 0.00 70 L 8.11 3.66 0.00 1.43 1.93 0.52 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.51 4.19 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 0.00 72 T 7.87 4.06 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 1.26 0.00 0.00 73 L 7.96 4.03 0.00 1.89 1.72 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.69 4.63 0.00 1.73 1.59 0.86 1.01 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 75 G 7.99 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 0.00 0.00 0.00 76 K 7.59 4.56 0.00 1.74 1.26 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.49 7.81 77 P 0.00 4.37 0.00 2.07 2.11 0.00 3.58 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 2.04 2.06 0.00 78 H 7.43 5.02 0.00 3.34 3.45 0.00 5.64 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 79 T 8.20 4.60 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 1.25 0.00 0.00 80 V 8.03 4.34 2.07 0.00 0.00 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 0.95 0.00 0.00 81 S 8.76 4.60 0.00 3.98 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 0.00 82 A 7.72 5.17 1.27 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 0.00 0.00 83 L 9.10 5.17 0.00 1.81 1.71 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.31 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 9.01 4.09 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 0.92 0.00 0.00 0.88 0.00 0.00 86 V 8.17 3.53 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 0.72 0.00 0.00 0.36 0.00 0.00 87 D 8.39 4.72 0.00 2.72 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 88 P 0.00 4.48 0.00 2.18 2.04 0.00 3.76 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 2.08 2.04 0.00 89 G 8.02 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.31 4.41 0.00 1.95 1.83 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 2.23 2.11 0.00 91 S 7.47 4.91 0.00 4.03 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 92 R 8.98 4.58 0.00 1.85 1.93 0.00 3.17 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 93 I 7.62 3.73 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.84 0.00 0.00 94 L 7.81 4.21 0.00 1.66 1.70 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.07 4.10 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 96 L 7.07 3.72 0.00 1.66 1.27 0.73 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *97 G 8.47 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.