#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dar s SER 2 N 0.00 3.25 0.29 1.61 0.01 -1.26 -5.15 113.70 112.45 2dar s SER 2 Ca 0.00 -0.76 0.10 0.00 1.31 0.00 0.00 55.95 56.60 2dar s SER 2 Cb 0.00 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 2dar s SER 2 CO 0.00 0.16 -0.15 -0.55 0.41 0.00 0.00 173.24 173.11 2dar s SER 3 N -2.14 3.38 0.00 2.44 0.15 -1.26 -5.15 113.70 111.12 2dar s SER 3 Ca 0.14 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2dar s SER 3 Cb -0.10 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2dar s SER 3 CO 0.06 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2dar n GLY 4 N -0.63 0.75 4.10 9.45 0.00 -1.26 -4.80 105.19 112.80 2dar n GLY 4 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2dar n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dar n SER 5 N 0.00 -2.95 -0.06 1.61 7.64 -1.26 -4.88 113.62 113.71 2dar n SER 5 Ca 0.00 -0.96 -0.04 0.00 1.01 0.00 0.00 58.87 58.88 2dar n SER 5 Cb 0.00 -3.07 -0.03 0.00 -1.01 0.00 0.00 64.21 60.10 2dar n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dar h SER 6 N -1.70 0.00 0.00 6.43 0.02 -2.07 -3.51 113.55 112.72 2dar h SER 6 Ca -0.60 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2dar h SER 6 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 2dar h SER 6 CO 0.72 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.69 2dar n GLY 7 N 1.71 2.29 3.14 -3.77 0.00 -1.26 -5.01 105.19 102.29 2dar n GLY 7 Ca -0.04 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 2dar n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dar s ASP 8 N 0.00 5.68 0.11 1.61 2.15 -1.26 -5.07 116.67 119.90 2dar s ASP 8 Ca 0.00 -3.01 -0.23 0.00 0.43 0.00 0.00 52.55 49.74 2dar s ASP 8 Cb 0.00 -1.94 -0.07 0.00 -0.30 0.00 0.00 42.92 40.61 2dar s ASP 8 CO 0.00 -0.37 0.70 -1.10 -0.17 0.00 0.00 175.17 174.23 2dar s GLN 9 N -0.30 4.43 -0.25 4.34 -1.52 -1.26 -4.96 119.66 120.14 2dar s GLN 9 Ca 0.19 0.99 0.09 0.00 -1.95 0.00 0.00 55.36 54.69 2dar s GLN 9 Cb -0.16 -3.27 0.66 0.00 -0.22 0.00 0.00 33.01 30.02 2dar s GLN 9 CO -0.06 0.56 1.62 -0.25 -0.25 0.00 0.00 175.29 176.91 2dar n ASP 10 N 1.81 4.64 -4.12 5.90 8.00 -1.26 -4.89 116.55 126.63 2dar n ASP 10 Ca -0.07 -2.95 -0.22 0.00 0.71 0.00 0.00 54.79 52.26 2dar n ASP 10 Cb 0.50 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.76 2dar n ASP 10 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dar s THR 11 N -2.58 1.13 0.40 -3.53 2.01 -1.26 -5.02 115.64 106.78 2dar s THR 11 Ca 0.47 -0.75 0.17 0.00 0.31 0.00 0.00 61.69 61.89 2dar s THR 11 Cb 0.37 -0.97 0.38 0.00 0.01 0.00 0.00 72.50 72.29 2dar s THR 11 CO 0.12 0.21 1.82 0.17 -0.69 0.00 0.00 174.62 176.25 2dar h LEU 12 N 5.49 0.46 -8.12 4.42 -0.00 -1.97 -3.42 115.31 112.17 2dar h LEU 12 Ca -0.36 0.06 -0.75 0.00 -0.00 0.00 0.00 57.88 56.84 2dar h LEU 12 Cb 1.17 -0.02 0.03 0.00 -0.00 0.00 0.00 40.66 41.84 2dar h LEU 12 CO 0.47 0.16 0.28 0.52 -0.00 0.00 0.00 178.44 179.87 2dar n VAL 13 N -4.57 0.00 -3.31 0.15 0.31 -1.26 -4.92 118.33 104.74 2dar n VAL 13 Ca 0.22 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.40 2dar n VAL 13 Cb 0.74 -0.18 0.03 0.00 -0.91 0.00 0.00 33.84 33.52 2dar n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dar n GLN 14 N 2.25 0.82 -3.68 5.55 6.02 0.56 -4.82 117.38 124.08 2dar n GLN 14 Ca 0.22 -2.15 -0.09 0.00 -0.01 0.00 0.00 57.00 54.97 2dar n GLN 14 Cb 0.02 -0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.18 2dar n GLN 14 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2dar s ARG 15 N -3.64 0.45 0.19 -1.09 0.52 -1.26 -2.16 118.95 111.96 2dar s ARG 15 Ca 0.33 0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 56.15 2dar s ARG 15 Cb -0.03 0.06 -0.08 0.00 0.52 0.00 0.00 34.95 35.43 2dar s ARG 15 CO 0.21 -0.17 1.10 0.00 0.02 0.00 0.00 175.30 176.46 2dar s ALA 16 N 1.61 3.38 -0.29 2.13 0.00 -1.26 -4.87 121.76 122.45 2dar s ALA 16 Ca -0.09 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 2dar s ALA 16 Cb -0.08 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.70 2dar s ALA 16 CO -0.14 -0.20 1.01 -2.00 0.00 0.00 0.00 175.76 174.43 2dar s GLU 17 N -0.49 4.10 0.12 0.00 2.12 -0.65 -4.85 118.70 119.04 2dar s GLU 17 Ca 0.49 1.06 -0.31 0.00 0.36 0.00 0.00 54.97 56.56 2dar s GLU 17 Cb -0.30 -3.71 -0.08 0.00 0.26 0.00 0.00 34.13 30.30 2dar s GLU 17 CO 0.35 -0.79 1.48 -1.01 -0.54 0.00 0.00 175.26 174.76 2dar s HIS 18 N 3.40 3.07 -0.15 5.30 3.76 -1.26 -2.94 115.29 126.47 2dar s HIS 18 Ca 0.43 0.77 0.02 0.00 -0.15 0.00 0.00 55.06 56.12 2dar s HIS 18 Cb -0.13 -3.79 0.01 0.00 1.11 0.00 0.00 32.58 29.78 2dar s HIS 18 CO 0.12 -2.89 -0.21 0.42 -0.85 0.00 0.00 174.74 171.34 2dar s ILE 19 N 1.38 2.10 0.89 0.60 -1.09 -0.71 -5.02 121.20 119.36 2dar s ILE 19 Ca 0.67 -0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 2dar s ILE 19 Cb -0.39 -1.85 0.13 0.00 -1.58 0.00 0.00 42.46 38.77 2dar s ILE 19 CO 0.30 0.54 1.09 -2.16 -1.23 0.00 0.00 174.94 173.49 2dar s PRO 20 N 0.94 1.27 0.52 2.79 0.04 -1.26 -2.28 135.00 137.02 2dar s PRO 20 Ca -0.04 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 61.62 2dar s PRO 20 Cb -0.15 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2dar s PRO 20 CO -0.05 -2.23 1.16 0.00 0.04 0.00 0.00 177.00 175.92 2dar s ALA 21 N -2.93 2.78 0.00 8.56 0.00 -1.26 -3.29 121.76 125.61 2dar s ALA 21 Ca 0.63 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2dar s ALA 21 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2dar s ALA 21 CO 0.57 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2dar n GLY 22 N 0.31 1.65 0.32 0.00 0.00 -1.26 -4.79 105.19 101.44 2dar n GLY 22 Ca 0.10 -0.24 0.20 0.00 0.00 0.00 0.00 46.02 46.08 2dar n GLY 22 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dar h LYS 23 N 0.00 0.11 -1.65 1.61 1.63 -1.93 -3.43 116.57 112.92 2dar h LYS 23 Ca 0.00 -0.01 0.17 0.00 -0.85 0.00 0.00 60.65 59.97 2dar h LYS 23 Cb 0.00 -0.03 -0.20 0.00 -0.60 0.00 0.00 32.23 31.40 2dar h LYS 23 CO 0.00 0.08 0.68 0.50 -3.45 0.00 0.00 179.45 177.26 2dar s ARG 24 N -5.81 0.48 -0.55 1.90 3.52 -1.26 -5.10 118.95 112.13 2dar s ARG 24 Ca -0.11 -0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.48 2dar s ARG 24 Cb 0.30 0.22 0.24 0.00 -1.56 0.00 0.00 34.95 34.15 2dar s ARG 24 CO 0.78 -0.19 0.64 0.25 -0.81 0.00 0.00 175.30 175.97 2dar n THR 25 N 0.16 1.14 -1.06 4.11 -2.24 -1.26 -4.87 114.28 110.25 2dar n THR 25 Ca -0.05 -4.72 -0.30 0.00 -2.27 0.00 0.00 64.05 56.70 2dar n THR 25 Cb 0.59 -2.04 0.25 0.00 -2.10 0.00 0.00 70.33 67.03 2dar n THR 25 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dar s PRO 26 N -1.90 -1.60 -0.24 -0.78 0.04 -1.26 -4.33 135.00 124.93 2dar s PRO 26 Ca 0.37 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 61.13 2dar s PRO 26 Cb 0.14 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 33.08 2dar s PRO 26 CO -0.06 -3.93 0.10 -1.64 0.04 0.00 0.00 177.00 171.51 2dar s MET 27 N -5.51 3.81 1.07 4.56 -1.94 -1.26 -1.68 119.30 118.34 2dar s MET 27 Ca 0.72 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 54.13 2dar s MET 27 Cb -0.08 -3.40 0.08 0.00 2.01 0.00 0.00 34.83 33.45 2dar s MET 27 CO 0.56 -0.09 0.10 0.00 -0.01 0.00 0.00 175.02 175.57 2dar n ALA 29 N -4.16 1.58 -0.02 0.00 0.00 -0.75 -3.69 120.51 113.47 2dar n ALA 29 Ca 0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 53.44 52.34 2dar n ALA 29 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 2dar n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dar h HIS 30 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -3.39 115.15 109.83 2dar h HIS 30 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2dar h HIS 30 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.45 2dar h HIS 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 2dar n ASN 32 N -2.78 -1.18 -4.10 0.00 5.15 -1.24 -4.98 115.26 106.13 2dar n ASN 32 Ca 0.03 -0.88 -0.20 0.00 -0.60 0.00 0.00 54.58 52.92 2dar n ASN 32 Cb 0.38 -3.74 -0.14 0.00 -0.53 0.00 0.00 39.78 35.75 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2dar s GLN 33 N -6.12 0.92 0.19 1.20 -1.52 -1.26 -4.78 119.66 108.28 2dar s GLN 33 Ca 0.03 -0.58 -0.33 0.00 -1.95 0.00 0.00 55.36 52.53 2dar s GLN 33 Cb -0.01 -0.90 -0.15 0.00 -0.22 0.00 0.00 33.01 31.73 2dar s GLN 33 CO 0.84 0.23 1.29 1.55 -0.25 0.00 0.00 175.29 178.95 2dar n VAL 34 N 2.33 0.79 -3.57 1.09 3.14 -1.26 -2.75 118.33 118.10 2dar n VAL 34 Ca -0.16 -0.20 -0.38 0.00 -2.96 0.00 0.00 64.34 60.64 2dar n VAL 34 Cb 0.55 -1.12 -0.10 0.00 -1.06 0.00 0.00 33.84 32.11 2dar n VAL 34 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dar s ILE 35 N -0.02 5.30 -0.15 1.55 1.01 -0.68 -4.94 121.20 123.28 2dar s ILE 35 Ca 0.73 0.24 -0.13 0.00 0.00 0.00 0.00 60.65 61.49 2dar s ILE 35 Cb -0.77 -3.55 -0.24 0.00 0.01 0.00 0.00 42.46 37.90 2dar s ILE 35 CO 0.50 0.25 0.34 0.03 0.00 0.00 0.00 174.94 176.06 2dar h ARG 36 N 8.19 0.18 0.00 2.79 3.08 -1.90 -3.37 114.38 123.34 2dar h ARG 36 Ca -0.35 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.40 2dar h ARG 36 Cb 1.18 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2dar h ARG 36 CO 0.58 1.15 0.00 0.41 -1.07 0.00 0.00 179.97 181.04 2dar n GLY 37 N 1.78 0.03 3.73 0.04 0.00 -1.26 -4.01 105.19 105.51 2dar n GLY 37 Ca -0.31 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 2dar n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dar s PRO 38 N 0.85 4.38 0.47 1.61 0.04 -1.26 -4.58 135.00 136.51 2dar s PRO 38 Ca 0.00 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2dar s PRO 38 Cb 0.00 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 2dar s PRO 38 CO 0.00 -0.29 0.04 -0.59 0.04 0.00 0.00 177.00 176.20 2dar s PHE 39 N 0.38 1.88 0.10 0.56 -0.12 -0.97 -4.42 117.98 115.39 2dar s PHE 39 Ca 0.58 -1.03 0.09 0.00 -0.05 0.00 0.00 56.93 56.52 2dar s PHE 39 Cb -0.36 -1.49 -0.03 0.00 -0.63 0.00 0.00 43.02 40.51 2dar s PHE 39 CO 0.36 0.09 -0.24 -0.51 -0.05 0.00 0.00 175.22 174.86 2dar s LEU 40 N -3.79 2.27 -0.14 -1.99 1.43 -0.23 -1.73 118.68 114.50 2dar s LEU 40 Ca 0.13 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2dar s LEU 40 Cb 0.02 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 45.18 2dar s LEU 40 CO 0.07 0.16 0.01 0.54 0.23 0.00 0.00 176.35 177.37 2dar s VAL 41 N -1.01 0.50 0.00 -1.59 0.11 -1.15 -0.72 120.40 116.55 2dar s VAL 41 Ca 0.11 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 2dar s VAL 41 Cb -0.10 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 2dar s VAL 41 CO 0.04 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.82 2dar n ALA 42 N 5.08 2.53 -2.17 1.54 0.00 -1.20 -1.64 120.51 124.65 2dar n ALA 42 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 2dar n ALA 42 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2dar n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dar n LEU 43 N -1.79 6.11 -3.24 0.00 7.99 -1.26 -4.58 117.00 120.23 2dar n LEU 43 Ca 0.00 -4.16 -0.23 0.00 -0.01 0.00 0.00 56.01 51.61 2dar n LEU 43 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 43.42 41.61 2dar n LEU 43 CO 0.00 0.82 -0.09 0.61 -1.51 0.00 0.00 177.39 177.22 2dar n GLY 44 N 4.34 -0.30 3.68 -0.72 0.00 -1.26 -4.80 105.19 106.12 2dar n GLY 44 Ca 0.48 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 2dar n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dar s LYS 45 N -4.97 1.66 -0.12 1.61 2.20 -1.26 -5.16 119.74 113.69 2dar s LYS 45 Ca 0.45 -1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 2dar s LYS 45 Cb -0.26 0.52 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2dar s LYS 45 CO 0.55 -0.72 -0.08 -1.54 -0.36 0.00 0.00 175.35 173.21 2dar s SER 46 N -3.00 4.48 0.04 1.43 1.04 -1.26 -3.23 113.70 113.19 2dar s SER 46 Ca 0.19 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.49 2dar s SER 46 Cb -0.02 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 2dar s SER 46 CO 0.09 0.22 -0.13 0.26 0.98 0.00 0.00 173.24 174.66 2dar s TRP 47 N 0.05 1.15 0.31 5.02 0.52 0.11 -1.81 118.94 124.29 2dar s TRP 47 Ca -0.02 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.46 2dar s TRP 47 Cb -0.14 -0.68 -0.10 0.00 -1.15 0.00 0.00 33.47 31.40 2dar s TRP 47 CO 0.03 0.02 1.24 -1.01 0.02 0.00 0.00 176.95 177.26 2dar s HIS 48 N -0.86 3.22 -1.49 -1.98 3.76 -1.26 -1.06 115.29 115.62 2dar s HIS 48 Ca 0.01 1.50 0.15 0.00 -0.15 0.00 0.00 55.06 56.57 2dar s HIS 48 Cb -0.08 -3.55 0.77 0.00 1.11 0.00 0.00 32.58 30.83 2dar s HIS 48 CO 0.01 -1.44 1.40 -0.35 -0.85 0.00 0.00 174.74 173.52 2dar n PRO 49 N 0.96 0.24 -0.06 8.40 -0.04 -1.26 -0.54 135.00 142.70 2dar n PRO 49 Ca -0.00 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2dar n PRO 49 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 2dar n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dar n GLU 50 N -1.26 1.95 -0.04 0.54 0.28 -1.26 -4.67 120.64 116.18 2dar n GLU 50 Ca 0.08 -0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.85 2dar n GLU 50 Cb 0.11 -1.32 -0.13 0.00 1.43 0.00 0.00 31.44 31.53 2dar n GLU 50 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2dar h GLU 51 N 0.00 0.15 -5.28 3.44 5.08 -1.89 -3.45 114.58 112.64 2dar h GLU 51 Ca -0.34 -0.26 -0.47 0.00 -1.00 0.00 0.00 59.36 57.29 2dar h GLU 51 Cb 1.77 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 31.07 2dar h GLU 51 CO 0.02 1.13 1.68 0.34 -1.00 0.00 0.00 179.01 181.18 2dar n PHE 52 N -3.93 0.94 -4.13 4.33 7.35 0.30 -4.87 117.46 117.45 2dar n PHE 52 Ca -0.31 0.25 -0.09 0.00 -0.76 0.00 0.00 57.45 56.54 2dar n PHE 52 Cb 0.88 -2.46 -0.10 0.00 0.35 0.00 0.00 39.48 38.15 2dar n PHE 52 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2dar s ASN 53 N 10.30 0.58 1.24 -2.13 0.01 -1.26 -3.62 114.94 120.05 2dar s ASN 53 Ca 1.18 -1.09 -0.16 0.00 -0.71 0.00 0.00 52.86 52.09 2dar s ASN 53 Cb -0.75 0.21 0.29 0.00 0.41 0.00 0.00 41.25 41.41 2dar s ASN 53 CO 0.38 -0.62 0.84 0.00 -1.51 0.00 0.00 177.10 176.19 2dar n ALA 55 N -5.11 4.20 0.05 0.00 0.00 -1.15 -3.68 120.51 114.82 2dar n ALA 55 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2dar n ALA 55 Cb 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2dar n ALA 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2dar n HIS 56 N -1.65 -0.02 1.14 0.00 -0.00 -1.26 -4.75 115.22 108.69 2dar n HIS 56 Ca 0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.89 2dar n HIS 56 Cb 0.37 0.00 0.65 0.00 -0.00 0.00 0.00 29.99 31.02 2dar n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dar n LYS 58 N -1.40 -0.74 -4.03 0.00 4.76 -1.24 -4.87 118.16 110.64 2dar n LYS 58 Ca 0.10 0.06 -0.24 0.00 -2.87 0.00 0.00 58.31 55.36 2dar n LYS 58 Cb 0.28 -3.00 -0.06 0.00 -1.84 0.00 0.00 35.03 30.40 2dar n LYS 58 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dar s ASN 59 N -4.10 4.54 -0.23 4.39 6.03 -1.26 -4.65 114.94 119.66 2dar s ASN 59 Ca 0.13 -1.06 -0.29 0.00 -1.03 0.00 0.00 52.86 50.62 2dar s ASN 59 Cb -0.07 -0.38 -0.02 0.00 -3.03 0.00 0.00 41.25 37.74 2dar s ASN 59 CO 0.92 -0.62 1.60 0.28 -2.03 0.00 0.00 177.10 177.25 2dar s THR 60 N -2.60 3.72 -0.47 0.54 -1.32 -1.26 -1.95 115.64 112.29 2dar s THR 60 Ca 0.40 0.81 0.03 0.00 -1.21 0.00 0.00 61.69 61.72 2dar s THR 60 Cb 0.02 -3.73 0.50 0.00 -1.51 0.00 0.00 72.50 67.78 2dar s THR 60 CO 0.23 -0.31 1.71 0.23 -2.21 0.00 0.00 174.62 174.26 2dar n MET 61 N 7.66 2.62 0.14 7.08 0.00 -1.24 -4.58 117.12 128.80 2dar n MET 61 Ca 0.19 -3.41 -0.25 0.00 0.00 0.00 0.00 57.70 54.23 2dar n MET 61 Cb 0.45 -2.16 -0.16 0.00 0.00 0.00 0.00 33.22 31.35 2dar n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dar h ALA 62 N 1.64 -0.11 0.00 3.04 0.00 -1.90 -3.42 119.26 118.51 2dar h ALA 62 Ca 0.48 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2dar h ALA 62 Cb 1.52 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2dar h ALA 62 CO 1.06 0.75 -0.52 0.66 0.00 0.00 0.00 179.25 181.21 2dar n TYR 63 N -3.70 0.40 -0.46 0.00 4.02 -1.26 -4.55 117.16 111.61 2dar n TYR 63 Ca -0.18 0.17 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 2dar n TYR 63 Cb 1.10 -0.52 0.19 0.00 -0.02 0.00 0.00 39.34 40.10 2dar n TYR 63 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2dar n ILE 64 N -3.94 0.00 -2.58 -0.72 -5.35 -1.26 -4.83 119.36 100.68 2dar n ILE 64 Ca -0.07 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.29 2dar n ILE 64 Cb 0.27 -0.66 0.02 0.00 -1.74 0.00 0.00 39.64 37.53 2dar n ILE 64 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dar n GLY 65 N 2.19 1.21 3.59 3.28 0.00 -1.26 -4.66 105.19 109.54 2dar n GLY 65 Ca 0.07 -2.04 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 2dar n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dar s PHE 66 N -0.06 -0.24 -0.02 1.61 -0.12 -0.92 -3.17 117.98 115.06 2dar s PHE 66 Ca 0.11 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.09 2dar s PHE 66 Cb -0.01 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2dar s PHE 66 CO 0.07 -0.53 -0.06 0.08 -0.05 0.00 0.00 175.22 174.73 2dar s VAL 67 N -2.99 0.56 -0.23 -2.49 1.01 0.12 -0.32 120.40 116.06 2dar s VAL 67 Ca 0.08 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 2dar s VAL 67 Cb -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2dar s VAL 67 CO -0.05 0.18 0.61 -0.70 0.00 0.00 0.00 175.10 175.14 2dar s GLU 68 N 0.21 4.15 -0.12 2.72 2.12 -1.26 -0.90 118.70 125.63 2dar s GLU 68 Ca -0.03 0.53 -0.05 0.00 0.36 0.00 0.00 54.97 55.79 2dar s GLU 68 Cb -0.07 -3.62 0.06 0.00 0.26 0.00 0.00 34.13 30.76 2dar s GLU 68 CO -0.00 -0.32 0.24 -2.00 -0.54 0.00 0.00 175.26 172.64 2dar s GLU 69 N 2.19 0.15 -1.42 4.30 2.12 0.77 -4.91 118.70 121.91 2dar s GLU 69 Ca 0.26 0.65 -0.01 0.00 0.36 0.00 0.00 54.97 56.24 2dar s GLU 69 Cb -0.16 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.15 2dar s GLU 69 CO 0.09 -0.24 0.40 1.63 -0.54 0.00 0.00 175.26 176.60 2dar n LYS 70 N 4.94 -3.16 -3.57 4.30 4.76 -1.26 -0.85 118.16 123.31 2dar n LYS 70 Ca -0.13 0.39 -0.23 0.00 -2.87 0.00 0.00 58.31 55.47 2dar n LYS 70 Cb 0.51 -4.49 0.08 0.00 -1.84 0.00 0.00 35.03 29.29 2dar n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dar n GLY 71 N -2.00 -0.52 3.16 0.72 0.00 -1.26 -5.00 105.19 100.29 2dar n GLY 71 Ca -0.30 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2dar n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dar s ALA 72 N -3.33 -0.76 -0.28 4.61 0.00 -0.03 -5.14 121.76 116.83 2dar s ALA 72 Ca 0.49 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.43 2dar s ALA 72 Cb -0.22 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 2dar s ALA 72 CO 0.73 -0.19 0.19 -0.51 0.00 0.00 0.00 175.76 175.97 2dar s LEU 73 N 0.87 4.01 -0.15 0.00 1.43 -1.26 -0.16 118.68 123.42 2dar s LEU 73 Ca -0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2dar s LEU 73 Cb -0.07 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2dar s LEU 73 CO -0.06 -0.05 -0.18 -0.31 0.23 0.00 0.00 176.35 175.98 2dar s TYR 74 N 1.75 2.74 0.80 0.29 2.02 -0.08 -2.92 117.35 121.96 2dar s TYR 74 Ca 0.07 -1.18 -0.13 0.00 -0.37 0.00 0.00 57.07 55.45 2dar s TYR 74 Cb -0.16 -1.86 0.08 0.00 -0.40 0.00 0.00 41.96 39.62 2dar s TYR 74 CO 0.11 -0.54 1.21 0.00 -1.57 0.00 0.00 175.55 174.75 2dar h GLU 76 N -0.85 0.27 0.69 0.00 -0.00 -1.88 -0.10 114.58 112.72 2dar h GLU 76 Ca -0.46 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.36 58.85 2dar h GLU 76 Cb 1.30 -0.06 0.01 0.00 -0.00 0.00 0.00 28.75 29.99 2dar h GLU 76 CO 0.46 0.18 -0.33 -0.07 -0.00 0.00 0.00 179.01 179.25 2dar h LEU 77 N 0.28 -0.78 -0.22 3.06 3.38 -1.90 0.38 115.31 119.51 2dar h LEU 77 Ca 0.67 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.68 2dar h LEU 77 Cb 1.88 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.80 2dar h LEU 77 CO -0.33 -0.53 0.03 0.00 0.09 0.00 0.00 178.44 177.70 2dar h TYR 79 N 0.11 -0.63 -1.05 0.00 5.03 -1.13 -1.34 116.97 117.97 2dar h TYR 79 Ca 0.10 0.00 0.29 0.00 2.58 0.00 0.00 58.73 61.70 2dar h TYR 79 Cb 0.10 0.24 -0.06 0.00 1.55 0.00 0.00 36.73 38.56 2dar h TYR 79 CO -0.16 -0.32 0.72 1.49 -1.32 0.00 0.00 178.16 178.57 2dar h GLU 80 N -0.50 0.18 -0.23 1.82 4.81 -0.89 1.73 114.58 121.50 2dar h GLU 80 Ca -0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2dar h GLU 80 Cb 0.42 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2dar h GLU 80 CO 0.00 0.12 0.07 0.87 -0.73 0.00 0.00 179.01 179.34 2dar h LYS 81 N 0.18 0.36 0.00 1.92 1.57 -0.46 -2.39 116.57 117.75 2dar h LYS 81 Ca 0.54 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2dar h LYS 81 Cb 1.77 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2dar h LYS 81 CO -0.13 0.44 -0.64 1.19 -0.57 0.00 0.00 179.45 179.74 2dar n PHE 82 N -4.77 0.66 0.18 -1.35 3.72 0.33 -4.62 117.46 111.61 2dar n PHE 82 Ca -0.03 0.29 -0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2dar n PHE 82 Cb 0.16 -0.69 -0.06 0.00 -0.94 0.00 0.00 39.48 37.94 2dar n PHE 82 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2dar h PHE 83 N -0.99 -0.92 -0.86 1.38 -1.00 0.23 -3.31 116.94 111.47 2dar h PHE 83 Ca 0.00 0.01 -0.52 0.00 2.81 0.00 0.00 57.97 60.27 2dar h PHE 83 Cb 0.64 0.36 -0.07 0.00 3.61 0.00 0.00 35.95 40.49 2dar h PHE 83 CO -0.28 -0.43 1.49 0.00 -1.61 0.00 0.00 178.31 177.48 2dar s ALA 84 N -4.92 2.54 0.46 2.45 0.00 -0.90 -4.97 121.76 116.42 2dar s ALA 84 Ca -0.11 -2.29 -0.21 0.00 0.00 0.00 0.00 51.96 49.35 2dar s ALA 84 Cb 0.03 -4.59 -0.09 0.00 0.00 0.00 0.00 23.12 18.46 2dar s ALA 84 CO 0.39 -4.01 1.01 -1.12 0.00 0.00 0.00 175.76 172.02 2dar s SER 85 N 5.59 6.58 0.00 0.00 0.01 -1.25 -4.42 113.70 120.21 2dar s SER 85 Ca 0.56 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2dar s SER 85 Cb -0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dar s SER 85 CO 0.01 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2dar n GLY 86 N -0.33 0.38 0.26 3.44 0.00 -1.26 -4.94 105.19 102.74 2dar n GLY 86 Ca 0.08 -1.68 0.17 0.00 0.00 0.00 0.00 46.02 44.59 2dar n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dar h PRO 87 N 0.00 0.00 -6.53 1.61 0.13 -2.05 -3.45 132.00 121.71 2dar h PRO 87 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2dar h PRO 87 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2dar h PRO 87 CO 0.00 0.00 0.10 -1.13 -0.23 0.00 0.00 178.00 176.74 2dar n SER 88 N -2.99 1.13 -3.72 1.44 3.41 -1.26 -5.00 113.62 106.62 2dar n SER 88 Ca 0.01 1.10 -0.15 0.00 -0.26 0.00 0.00 58.87 59.57 2dar n SER 88 Cb 0.29 -1.30 -0.15 0.00 -0.26 0.00 0.00 64.21 62.79 2dar n SER 88 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dar s SER 89 N -0.65 0.14 0.00 4.04 1.04 -1.26 -5.11 113.70 111.90 2dar s SER 89 Ca 0.61 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2dar s SER 89 Cb -0.63 0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2dar s SER 89 CO 0.59 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.24