NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3116 8.1744 110.9433 61.4632 70.6557 173.9878 6 N 4.6973 7.9523 119.4444 53.2508 38.6441 173.1117 7 S 4.5518 8.5488 114.8948 57.8958 65.4337 173.7863 8 D 4.8877 8.5438 121.4765 54.7640 41.8329 175.4287 9 F 5.3769 8.0747 114.2268 55.4547 41.5696 173.9799 10 V 4.5204 8.8302 112.9902 59.6372 34.7117 174.8829 11 V 4.7460 8.5979 124.3968 61.4337 33.6335 174.4508 12 I 4.9194 9.1261 128.6917 59.4823 40.3982 174.1908 13 K 4.9674 9.1029 129.5781 54.4479 34.0049 175.3371 14 A 4.4030 8.8331 130.4330 52.3300 19.0180 177.4878 15 L 4.6834 8.9518 122.3318 54.7247 42.7042 176.1067 16 E 4.7159 7.7712 115.4161 54.3807 32.6364 174.5079 17 D 4.4319 8.3811 119.4091 55.8153 41.2976 176.7995 18 G 3.8388 8.4295 109.2599 45.9569 0.0000 173.8264 19 V 3.8266 7.6131 119.8782 62.7141 32.8575 174.2917 20 N 5.1681 9.1670 126.6899 51.9251 41.2399 173.2037 21 V 4.5540 8.8997 127.7205 61.5392 33.4013 174.3066 22 I 4.8037 9.0011 129.9720 59.4654 39.7542 174.9133 23 G 4.2429 9.1985 115.4184 45.0023 0.0000 172.5102 24 L 5.3716 8.8330 126.1906 53.2595 44.0256 176.2825 25 T 4.5823 8.5418 114.0293 61.6073 69.2622 174.3701 26 R 4.3395 7.8675 126.6925 57.0181 30.8043 174.7382 27 G 3.7109 8.8964 109.2129 44.0313 0.0000 173.9271 28 A 4.0228 8.6248 121.0137 54.6919 18.5825 178.0340 29 D 4.6991 7.2740 112.1522 53.6220 41.9534 176.1779 30 T 4.7329 8.3274 119.7296 62.0724 70.8793 173.2420 31 R 4.8874 8.7290 122.5129 54.4084 33.4986 174.3164 32 F 5.0869 8.9277 115.8850 57.4077 38.1297 174.6818 33 H 4.7800 9.1930 117.1406 56.2722 30.5596 173.9961 34 H 5.0054 7.9977 117.9109 54.7517 33.5487 171.8907 35 S 4.9829 8.5026 119.0610 56.5432 64.6484 172.3972 36 E 4.5416 9.1594 129.8251 54.6245 30.9456 175.0349 37 K 4.8161 8.6224 126.7113 55.9727 33.6860 176.3020 38 L 4.9685 9.2280 123.5731 53.1738 45.3014 175.9925 39 D 5.0455 9.5426 123.3165 52.2448 43.4799 175.9065 40 K 3.7870 8.7529 121.4611 58.7312 32.2720 176.8192 41 G 4.0316 9.0865 115.6211 45.1954 0.0000 173.5250 42 E 4.2727 8.2057 119.6665 56.2355 30.8039 176.0703 43 V 4.9649 8.2946 121.9293 60.9968 34.6016 174.2356 44 L 4.7438 9.1086 129.4964 53.2830 44.8854 174.8266 45 I 5.0540 8.5565 126.7242 59.6790 39.0304 174.7353 46 A 4.7547 8.9981 129.2368 50.1187 21.9783 175.2590 47 Q 4.8701 8.6044 120.4814 54.8144 30.5962 175.7137 48 F 4.6954 8.5491 120.3180 57.9794 39.4463 175.0790 49 T 4.7034 9.1248 111.3480 60.1286 71.9559 174.0712 50 E 4.1419 8.9110 121.4748 59.1843 29.6724 177.1040 51 H 4.6111 7.8543 114.8888 56.0088 30.0945 174.1081 52 T 5.6573 8.6525 116.7749 61.0176 70.8380 174.5378 53 S 4.9906 9.1201 119.8981 58.0741 65.1790 173.3592 54 A 5.2439 8.0174 121.6964 50.7616 22.7564 174.9148 55 I 5.0068 8.6233 120.0829 59.3327 40.8984 174.8474 56 K 4.6510 9.1929 127.3810 54.4926 35.3431 174.6965 57 V 4.8491 8.4396 126.0296 61.1749 33.8965 174.5162 58 R 4.5452 9.2434 126.9857 55.6182 33.0661 176.4673 59 G 4.1147 8.9785 108.5485 44.3307 0.0000 172.4756 60 K 4.5434 9.4241 120.7154 56.0624 33.1709 175.5890 61 A 5.1122 8.8279 128.2285 50.8593 23.3846 173.8148 62 Y 4.8125 9.0605 122.4233 56.2938 40.6492 174.4681 63 I 5.0550 8.3056 127.3018 59.5727 40.8546 174.3611 64 Q 5.1008 8.9740 125.7483 54.3793 31.7187 174.8877 65 T 5.0654 8.6409 112.9618 59.4573 72.5432 174.8204 66 R 3.8616 8.5238 117.0187 58.8957 29.2237 177.0236 67 H 4.5986 8.0986 114.4378 55.3998 29.5892 173.9200 68 G 3.7379 7.2255 105.7266 44.0518 0.0000 173.0771 69 V 4.3663 8.0095 113.0389 60.8059 32.8420 175.8075 70 I 4.6072 8.5379 123.4024 59.4341 42.0136 173.3262 71 E 5.1285 8.5775 126.7419 54.4339 32.0255 175.9867 72 S 4.5228 8.6414 119.3282 58.1090 64.8620 173.0117 73 E 4.9012 8.5220 120.3521 54.1309 32.7964 176.2694 74 G 3.7193 8.6779 110.8318 45.9670 0.0000 173.3338 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 T 8.17 4.31 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 1.22 0.00 0.00 6 N 7.95 4.70 0.00 2.80 2.84 0.00 0.00 7.20 6.75 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 7 S 8.55 4.55 0.00 4.08 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 8 D 8.54 4.89 0.00 2.77 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 9 F 8.07 5.38 0.00 3.05 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 10 V 8.83 4.52 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 0.58 0.00 0.00 0.86 0.00 0.00 11 V 8.60 4.75 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 1.06 0.00 0.00 1.20 0.00 0.00 12 I 9.13 4.92 1.89 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 1.11 0.65 0.93 0.00 0.00 13 K 9.10 4.97 0.00 1.89 1.79 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.83 4.40 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 15 L 8.95 4.68 0.00 1.67 1.73 1.01 1.05 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 16 E 7.77 4.72 0.00 2.01 1.87 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 2.18 2.32 0.00 17 D 8.38 4.43 0.00 2.68 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 18 G 8.43 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 19 V 7.61 3.83 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 0.88 0.00 0.00 1.04 0.00 0.00 20 N 9.17 5.17 0.00 2.74 2.57 0.00 0.00 6.50 8.24 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 21 V 8.90 4.55 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 0.89 0.00 0.00 0.92 0.00 0.00 22 I 9.00 4.80 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.53 0.82 0.00 0.00 23 G 9.20 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 0.00 0.00 0.00 24 L 8.83 5.37 0.00 1.80 1.67 1.03 0.84 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 25 T 8.54 4.58 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 1.35 0.00 0.00 26 R 7.87 4.34 0.00 1.90 1.98 0.00 3.23 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.90 3.71 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 0.00 0.00 0.00 28 A 8.62 4.02 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 29 D 7.27 4.70 0.00 2.75 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 30 T 8.33 4.73 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 1.26 0.00 0.00 31 R 8.73 4.89 0.00 1.83 1.98 0.00 2.72 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 32 F 8.93 5.09 0.00 3.09 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 33 H 9.19 4.78 0.00 3.10 3.45 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.00 5.01 0.00 3.29 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.50 4.98 0.00 3.59 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 36 E 9.16 4.54 0.00 2.19 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 2.26 2.33 0.00 37 K 8.62 4.82 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.39 7.81 38 L 9.23 4.97 0.00 1.50 1.51 0.93 1.12 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 39 D 9.54 5.05 0.00 2.54 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 40 K 8.75 3.79 0.00 1.85 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 41 G 9.09 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 42 E 8.21 4.27 0.00 1.98 1.88 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 2.33 2.41 0.00 43 V 8.29 4.96 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 0.82 0.00 0.00 0.95 0.00 0.00 44 L 9.11 4.74 0.00 1.74 1.47 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.56 5.05 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 1.30 0.67 0.82 0.00 0.00 46 A 9.00 4.75 1.14 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 0.00 0.00 47 Q 8.60 4.87 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 48 F 8.55 4.70 0.00 3.04 2.99 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 49 T 9.12 4.70 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 1.32 0.00 0.00 50 E 8.91 4.14 0.00 1.93 1.97 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 2.11 2.29 0.00 51 H 7.85 4.61 0.00 3.44 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.65 5.66 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 1.38 0.00 0.00 53 S 9.12 4.99 0.00 3.87 4.11 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 54 A 8.02 5.24 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 55 I 8.62 5.01 1.82 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.86 0.00 0.00 56 K 9.19 4.65 0.00 1.78 1.59 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.34 7.81 57 V 8.44 4.85 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 0.87 0.00 0.00 0.92 0.00 0.00 58 R 9.24 4.55 0.00 1.70 1.73 0.00 3.06 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 59 G 8.98 4.11 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 0.00 60 K 9.42 4.54 0.00 1.81 1.71 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.83 5.11 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 62 Y 9.06 4.81 0.00 3.06 2.85 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 63 I 8.31 5.05 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.93 0.00 0.00 64 Q 8.97 5.10 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 65 T 8.64 5.07 4.12 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 0.00 0.00 0.00 1.17 0.00 0.00 66 R 8.52 3.86 0.00 1.85 1.95 0.00 3.40 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 67 H 8.10 4.60 0.00 3.16 3.32 0.00 5.64 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 68 G 7.23 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.01 4.37 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 0.56 0.00 0.00 0.85 0.00 0.00 70 I 8.54 4.61 1.81 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 1.20 1.46 0.85 0.00 0.00 71 E 8.58 5.13 0.00 1.82 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 2.45 2.21 0.00 72 S 8.64 4.52 0.00 3.98 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 73 E 8.52 4.90 0.00 1.82 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 2.19 2.27 0.00 74 G 8.68 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 0.00 0.00 0.00