NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3322 8.1233 123.5849 51.6240 20.1962 176.2495 2 R 3.8506 7.9404 119.6984 53.9578 29.7301 177.4125 3 I 3.5211 9.3249 128.4527 62.3626 37.8751 173.7481 4 A 4.7026 8.2481 118.5484 53.0113 24.8471 174.5042 5 G 3.9830 8.8565 104.7912 44.6232 0.0000 175.9147 6 I 3.8610 8.7956 126.4864 63.9956 37.6242 176.3068 7 N 4.6079 7.6281 118.7430 52.6248 36.5992 172.4299 8 I 5.0993 8.2461 115.0900 57.9819 39.3885 175.6599 9 P 4.8513 0.0000 0.0000 61.3137 30.4166 174.0694 10 D 4.7924 7.6367 118.3927 54.4027 43.9704 176.1878 11 H 3.9669 9.1169 122.6514 55.4304 27.3128 173.7553 12 K 4.2939 7.8320 117.4780 54.6922 35.5359 174.2435 13 H 3.9253 8.0768 121.1441 53.8324 29.4999 175.6918 14 A 3.8735 8.5953 127.2794 55.6630 18.2273 180.4915 15 V 3.7174 7.8568 115.8274 65.4987 31.5776 177.4946 16 I 4.7090 7.3884 116.9240 61.6559 37.6411 177.1149 17 A 4.2711 8.6113 120.1139 53.1308 18.2937 177.4518 18 L 4.4648 7.6738 118.3108 56.9185 43.5831 178.1123 19 T 3.9772 7.3783 110.5226 64.4749 68.2398 176.1152 20 S 3.7402 8.0321 115.7052 59.8755 64.3791 175.3245 21 I 4.3935 8.0584 124.0735 62.4940 34.6147 179.3895 22 Y 3.2625 7.1193 116.6580 58.7872 40.2074 175.7484 23 G 4.0415 7.9036 113.8580 48.2169 0.0000 173.6270 24 V 4.3447 8.0122 111.9991 59.4620 33.6650 174.7007 25 G 4.2500 7.8447 108.9810 43.1599 0.0000 173.8756 26 K 3.8571 8.6057 117.2769 59.7895 32.2305 179.7969 27 T 4.0224 7.8849 114.7740 66.0005 68.9099 175.0882 28 R 4.5311 7.2841 122.2973 53.3076 28.4504 175.2874 29 S 4.5145 7.3942 119.2641 58.7972 69.6559 178.6210 30 K 4.0918 7.3653 117.8674 57.7456 32.3408 177.5925 31 A 4.4090 7.6812 119.5769 52.4474 19.4377 177.2459 32 I 4.2325 7.4536 115.0639 61.5498 39.9039 176.7076 33 L 4.0388 7.4226 120.7332 57.2622 41.7225 178.3043 34 A 4.1183 7.6704 120.6757 55.7880 18.4994 178.8929 35 A 4.1370 7.9149 119.5108 54.4926 18.9372 180.4063 36 A 4.3765 8.1533 121.9516 51.7516 17.4336 178.7189 37 G 4.0402 9.4238 111.2260 45.9372 0.0000 173.7597 38 I 4.5283 7.1249 118.0347 58.9325 41.0889 174.7357 39 A 4.2955 8.3279 125.2425 51.2267 18.4998 178.2572 40 E 3.9924 8.9482 122.0452 59.8989 29.6522 178.3244 41 D 4.4171 8.1598 118.0431 56.7888 41.6217 176.8021 42 V 4.2946 7.6580 113.3157 60.2944 33.5422 174.9355 43 K 4.8999 8.3767 120.2109 55.6071 34.5143 176.1740 44 I 4.0978 8.1906 112.8851 61.9687 38.6917 176.3634 45 S 4.7536 7.6243 119.3195 56.9378 62.2042 173.1144 46 E 4.7827 7.5628 116.5181 56.9321 35.5489 176.1546 47 L 4.3459 7.7188 118.9898 54.5718 41.9182 176.1947 48 S 4.3444 8.2055 113.7572 58.0383 63.0178 173.9248 49 E 4.4371 8.7473 124.8834 56.6253 28.8751 177.1316 50 G 4.1519 8.2642 103.2841 44.3455 0.0000 174.2815 51 Q 4.4573 8.6909 118.5059 56.2996 30.2083 176.9215 52 I 4.0253 7.5641 119.4001 63.2916 38.0993 176.4246 53 D 4.5583 7.9845 117.4958 56.0970 41.0454 177.8420 54 T 3.9379 7.8056 110.0944 65.2600 68.9894 176.5000 55 L 4.0173 7.9354 121.9408 57.4902 41.5009 179.1525 56 R 4.0612 7.8745 116.5641 58.3126 30.2273 177.4350 57 D 4.4885 7.4470 117.8096 57.1277 41.3782 177.5633 58 E 3.9601 7.8460 120.5348 59.3356 29.6764 178.7402 59 V 3.9902 7.6656 114.5429 62.6043 31.9915 176.9997 60 A 4.1822 8.0829 124.5945 55.3956 18.3303 178.6530 61 K 4.3327 7.3135 113.7211 56.4390 32.3102 176.7081 62 F 4.9426 7.7094 114.9840 55.4809 43.2484 174.7375 63 V 3.8824 8.6140 121.6660 64.0080 32.7212 174.8598 64 V 4.6057 7.6934 120.8686 59.8483 34.1229 177.2281 65 E 4.2982 9.6362 131.4968 57.9258 28.3536 178.1270 66 G 3.8891 9.4200 111.3953 49.0279 0.0000 173.6534 67 D 4.5805 8.1893 121.3254 57.3439 40.9943 178.5241 68 L 3.9162 7.6025 118.5267 58.9127 41.8635 178.8960 69 R 4.2175 7.9368 116.3721 57.5253 30.2835 178.5986 70 R 4.1281 7.8564 120.0417 59.2190 30.5377 177.2332 71 E 4.3292 7.8294 115.6361 56.7489 29.1835 177.6089 72 I 4.4711 7.3727 119.6985 61.5091 37.8244 176.6448 73 S 4.6675 8.4276 114.8329 59.0771 63.4335 174.7469 74 M 5.3361 7.7790 120.7699 55.0101 32.7482 176.5767 75 S 4.5862 7.5841 113.0316 59.2280 65.5353 176.1415 76 I 3.7521 7.5093 120.7903 63.5623 36.8976 178.3999 77 K 4.0574 7.5583 118.8697 59.1191 31.8280 179.2523 78 R 3.9650 7.8980 119.3724 59.2336 30.2402 178.3273 79 L 4.0665 8.0864 119.6207 58.4252 40.0985 178.8304 80 M 4.0440 7.9492 119.5136 57.9914 32.3226 176.9722 81 D 4.5800 7.3886 114.2194 54.0995 40.0900 177.6884 82 L 4.2633 7.6743 121.2241 57.0642 41.8174 177.5112 83 G 4.1785 7.2939 105.8746 45.5901 0.0000 174.4946 84 C 4.5365 7.9271 116.2672 57.6013 32.7460 172.7613 85 Y 4.3100 8.5305 119.4983 60.3740 38.7002 177.8353 86 R 4.0565 8.0566 119.0807 58.9535 30.4195 178.4376 87 G 4.3734 8.0608 106.3691 47.4888 0.0000 175.4787 88 L 3.9885 8.2372 121.6047 57.0747 41.2113 178.9848 89 R 4.0946 7.7457 116.3389 57.2140 29.9229 177.0128 90 H 4.8032 8.2820 116.6476 54.5532 30.0291 175.1799 91 R 4.4023 7.5124 116.9929 55.6761 30.1353 175.6209 92 R 4.6826 7.3442 118.0414 54.7019 34.2508 175.2013 93 G 3.9985 8.3227 106.5039 45.4632 0.0000 173.3492 94 L 4.7272 6.8843 117.3657 51.4442 44.6418 175.5274 95 P 4.1990 0.0000 0.0000 63.4387 31.5644 177.5501 96 V 3.9128 8.3025 121.2914 63.9042 31.8527 176.4126 97 R 4.3160 7.9696 116.5366 56.5196 30.7772 175.8499 98 G 3.8722 7.6650 104.2834 46.5951 0.0000 174.7973 99 Q 4.3269 7.7985 119.7310 55.2768 29.6584 177.8963 100 R 4.2960 8.3897 112.0417 56.5123 27.2728 176.5173 101 T 3.7972 8.3363 116.9378 65.3833 69.9282 177.3040 102 K 4.2722 6.8962 115.9654 56.0217 31.6354 179.3936 103 T 3.9391 8.6237 108.8498 61.7435 69.1278 173.2327 104 N 4.1206 8.6087 116.0787 53.8528 35.7996 175.2316 105 A 4.6637 7.0745 123.2240 49.8201 19.5117 178.1379 106 R 4.6232 7.9940 121.0572 57.8495 30.3994 178.1536 107 T 3.9611 7.6938 113.2173 64.7890 67.7444 175.4251 108 R 4.3012 7.9144 117.9202 57.0502 30.7606 177.1159 109 K 4.4067 7.8839 117.4171 58.2556 34.2751 176.2348 110 G 4.0632 7.9139 106.0329 43.4166 0.0000 170.0937 111 P 4.6337 0.0000 0.0000 62.5823 32.4695 176.7588 112 R 4.4200 8.2604 119.1400 54.3857 30.2762 175.8508 113 K 3.8702 8.4578 124.8536 56.6440 32.8046 176.4408 *114 P 4.2215 0.0000 0.0000 62.4243 31.3818 176.4154 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 A 8.12 4.33 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 2 R 7.94 3.85 0.00 1.98 1.78 0.00 3.22 0.00 0.00 3.34 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 3 I 9.32 3.52 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 1.37 0.36 0.94 0.00 0.00 4 A 8.25 4.70 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 5 G 8.86 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 0.00 0.00 0.00 6 I 8.80 3.86 1.84 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 1.40 0.44 0.92 0.00 0.00 7 N 7.63 4.61 0.00 2.97 2.85 0.00 0.00 6.51 7.20 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 8 I 8.25 5.10 1.89 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 1.12 1.74 0.98 0.00 0.00 9 P 0.00 4.85 0.00 2.21 2.18 0.00 3.56 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.09 0.00 10 D 7.64 4.79 0.00 2.68 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 11 H 9.12 3.97 0.00 3.22 3.35 0.00 5.96 0.00 0.00 0.00 0.00 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.83 4.29 0.00 1.68 1.59 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.37 7.81 13 H 8.08 3.93 0.00 3.24 3.15 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.60 3.87 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 15 V 7.86 3.72 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 1.08 0.00 0.00 0.99 0.00 0.00 16 I 7.39 4.71 1.88 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 1.39 1.52 0.90 0.00 0.00 17 A 8.61 4.27 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 18 L 7.67 4.46 0.00 1.94 1.83 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.38 3.98 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 1.25 0.00 0.00 20 S 8.03 3.74 0.00 3.86 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 21 I 8.06 4.39 1.99 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 1.37 1.28 1.07 0.00 0.00 22 Y 7.12 3.26 0.00 2.95 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 23 G 7.90 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 24 V 8.01 4.34 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 0.76 0.00 0.00 1.07 0.00 0.00 25 G 7.84 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 0.00 0.00 0.00 26 K 8.61 3.86 0.00 1.80 1.87 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.45 7.81 27 T 7.88 4.02 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 28 R 7.28 4.53 0.00 1.93 1.79 0.00 3.03 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 29 S 7.39 4.51 0.00 3.83 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 30 K 7.37 4.09 0.00 1.82 1.76 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 A 7.68 4.41 1.26 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 0.00 0.00 0.00 32 I 7.45 4.23 1.79 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 1.31 1.45 0.89 0.00 0.00 33 L 7.42 4.04 0.00 1.97 1.59 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.67 4.12 1.42 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 35 A 7.91 4.14 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 36 A 8.15 4.38 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 37 G 9.42 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 38 I 7.12 4.53 1.88 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 1.36 1.00 0.92 0.00 0.00 39 A 8.33 4.30 1.26 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 0.00 0.00 0.00 40 E 8.95 3.99 0.00 2.05 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 0.00 2.27 2.39 0.00 41 D 8.16 4.42 0.00 2.67 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 V 7.66 4.29 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 0.85 0.00 0.00 0.98 0.00 0.00 43 K 8.38 4.90 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 44 I 8.19 4.10 1.89 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 1.54 0.46 0.93 0.00 0.00 45 S 7.62 4.75 0.00 3.94 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 46 E 7.56 4.78 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 2.15 2.57 0.00 47 L 7.72 4.35 0.00 1.78 1.72 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.21 4.34 0.00 3.88 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 49 E 8.75 4.44 0.00 1.95 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 2.29 2.37 0.00 50 G 8.26 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.69 4.46 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 52 I 7.56 4.03 1.88 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 1.54 1.26 1.01 0.00 0.00 53 D 7.98 4.56 0.00 2.84 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 54 T 7.81 3.94 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 1.27 0.00 0.00 55 L 7.94 4.02 0.00 1.81 1.77 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.87 4.06 0.00 1.82 1.97 0.00 3.24 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 57 D 7.45 4.49 0.00 2.71 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 58 E 7.85 3.96 0.00 2.09 1.99 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 2.38 2.42 0.00 59 V 7.67 3.99 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 0.85 0.00 0.00 0.99 0.00 0.00 60 A 8.08 4.18 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 61 K 7.31 4.33 0.00 1.72 1.50 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.33 7.81 62 F 7.71 4.94 0.00 2.99 2.82 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 0.00 0.00 0.00 63 V 8.61 3.88 2.15 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 0.86 0.00 0.00 1.04 0.00 0.00 64 V 7.69 4.61 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 1.09 0.00 0.00 65 E 9.64 4.30 0.00 1.95 1.55 0.00 0.00 0.00 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 2.31 0.00 66 G 9.42 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 0.00 0.00 0.00 67 D 8.19 4.58 0.00 2.83 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 68 L 7.60 3.92 0.00 2.08 1.75 1.05 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 69 R 7.94 4.22 0.00 1.83 1.96 0.00 3.40 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 70 R 7.86 4.13 0.00 1.96 2.14 0.00 3.08 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 71 E 7.83 4.33 0.00 2.03 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 2.39 2.31 0.00 72 I 7.37 4.47 2.03 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 1.54 1.80 0.96 0.00 0.00 73 S 8.43 4.67 0.00 3.91 3.85 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 74 M 7.78 5.34 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 75 S 7.58 4.59 0.00 4.01 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 76 I 7.51 3.75 1.92 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 1.12 0.77 0.76 0.00 0.00 77 K 7.56 4.06 0.00 1.81 1.84 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 78 R 7.90 3.97 0.00 1.88 1.88 0.00 3.35 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 79 L 8.09 4.07 0.00 1.99 1.93 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.95 4.04 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 81 D 7.39 4.58 0.00 2.91 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 82 L 7.67 4.26 0.00 1.89 1.77 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.29 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 84 C 7.93 4.54 0.00 3.24 3.16 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 85 Y 8.53 4.31 0.00 2.97 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 86 R 8.06 4.06 0.00 1.94 1.98 0.00 3.28 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 87 G 8.06 4.37 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 0.00 88 L 8.24 3.99 0.00 1.63 1.64 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.75 4.09 0.00 1.67 1.72 0.00 3.14 0.00 0.00 3.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.21 0.00 90 H 8.28 4.80 0.00 3.23 3.27 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.51 4.40 0.00 1.89 2.02 0.00 3.04 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 92 R 7.34 4.68 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 93 G 8.32 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 94 L 6.88 4.73 0.00 1.36 1.52 0.88 0.96 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 95 P 0.00 4.20 0.00 2.22 2.04 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 96 V 8.30 3.91 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 0.74 0.00 0.00 0.85 0.00 0.00 97 R 7.97 4.32 0.00 1.84 1.98 0.00 3.38 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 98 G 7.67 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 99 Q 7.80 4.33 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.36 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 100 R 8.39 4.30 0.00 2.00 2.11 0.00 2.99 0.00 0.00 3.54 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 101 T 8.34 3.80 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 1.32 0.00 0.00 102 K 6.90 4.27 0.00 1.79 1.20 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.40 7.81 103 T 8.62 3.94 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 0.00 104 N 8.61 4.12 0.00 2.83 2.86 0.00 0.00 6.62 7.35 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 0.00 105 A 7.07 4.66 1.23 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 0.00 106 R 7.99 4.62 0.00 1.83 2.04 0.00 3.56 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.48 0.00 107 T 7.69 3.96 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 0.00 108 R 7.91 4.30 0.00 1.80 1.91 0.00 3.30 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 109 K 7.88 4.41 0.00 1.94 1.89 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.42 7.81 110 G 7.91 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 0.00 0.00 0.00 111 P 0.00 4.63 0.00 2.19 2.06 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 112 R 8.26 4.42 0.00 1.79 1.93 0.00 3.38 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 113 K 8.46 3.87 0.00 1.72 1.75 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.50 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.