#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 0.20 0.09 1.61 0.15 -1.26 -5.18 113.70 109.32 2dar s SER 2 Ca 0.00 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.90 2dar s SER 2 Cb 0.00 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 2dar s SER 2 CO 0.00 -0.59 0.27 -0.55 1.20 0.00 0.00 173.24 173.56 2dar s SER 3 N -2.47 -0.02 0.51 5.45 0.15 -1.26 -5.18 113.70 110.89 2dar s SER 3 Ca -0.00 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.25 2dar s SER 3 Cb 0.02 0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2dar s SER 3 CO -0.07 -0.73 0.70 -0.83 1.20 0.00 0.00 173.24 173.51 2dar s GLY 4 N -2.66 1.86 -0.23 9.45 0.00 -1.26 -5.10 107.32 109.38 2dar s GLY 4 Ca 0.02 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.04 2dar s GLY 4 CO -0.09 -1.41 -0.06 -0.45 0.00 0.00 0.00 173.10 171.09 2dar s SER 5 N -4.47 3.84 0.47 1.64 0.15 -1.26 -5.13 113.70 108.94 2dar s SER 5 Ca 0.58 -1.17 0.06 0.00 0.70 0.00 0.00 55.95 56.12 2dar s SER 5 Cb -0.09 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 63.05 2dar s SER 5 CO 0.37 -0.23 0.64 -0.44 1.20 0.00 0.00 173.24 174.78 2dar s SER 6 N 1.38 5.52 0.88 5.45 0.01 -1.26 -5.11 113.70 120.57 2dar s SER 6 Ca -0.06 -0.29 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 2dar s SER 6 Cb -0.19 -0.71 0.12 0.00 0.21 0.00 0.00 66.02 65.46 2dar s SER 6 CO -0.06 -0.90 1.20 -0.83 0.41 0.00 0.00 173.24 173.06 2dar s GLY 7 N -4.38 1.63 -0.01 3.44 0.00 -1.26 -5.02 107.32 101.72 2dar s GLY 7 Ca 0.56 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.54 2dar s GLY 7 CO 0.35 -0.18 0.03 2.09 0.00 0.00 0.00 173.10 175.38 2dar n ASP 8 N -3.55 4.45 -4.42 1.64 5.75 -1.26 -5.07 116.55 114.09 2dar n ASP 8 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.67 2dar n ASP 8 Cb 0.60 0.79 -0.10 0.00 -1.03 0.00 0.00 41.12 41.38 2dar n ASP 8 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2dar s GLN 9 N -2.10 1.56 -0.21 0.11 -1.52 -1.26 -5.05 119.66 111.18 2dar s GLN 9 Ca -0.01 -1.82 0.14 0.00 -1.95 0.00 0.00 55.36 51.72 2dar s GLN 9 Cb 0.01 -0.93 0.52 0.00 -0.22 0.00 0.00 33.01 32.39 2dar s GLN 9 CO 0.10 -0.09 1.43 -3.47 -0.25 0.00 0.00 175.29 173.01 2dar n ASP 10 N -0.60 3.44 -4.02 5.90 2.03 -1.26 -4.98 116.55 117.06 2dar n ASP 10 Ca -0.04 -3.24 -0.13 0.00 0.52 0.00 0.00 54.79 51.89 2dar n ASP 10 Cb 0.65 -0.57 -0.12 0.00 -0.72 0.00 0.00 41.12 40.35 2dar n ASP 10 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dar s THR 11 N -2.96 0.44 0.40 5.18 2.01 -1.26 -5.01 115.64 114.44 2dar s THR 11 Ca 0.43 -0.76 0.31 0.00 0.31 0.00 0.00 61.69 61.98 2dar s THR 11 Cb 0.36 -0.47 0.48 0.00 0.01 0.00 0.00 72.50 72.87 2dar s THR 11 CO 0.06 -0.23 1.34 0.18 -0.69 0.00 0.00 174.62 175.28 2dar n LEU 12 N 1.99 0.14 -3.29 4.42 4.32 -1.26 -4.54 117.00 118.78 2dar n LEU 12 Ca -0.19 1.12 -0.47 0.00 -0.02 0.00 0.00 56.01 56.44 2dar n LEU 12 Cb 0.56 -0.55 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 2dar n LEU 12 CO 0.22 -1.20 0.91 0.52 -1.22 0.00 0.00 177.39 176.63 2dar n VAL 13 N -4.25 0.00 -4.01 4.08 0.31 -1.26 -4.77 118.33 108.44 2dar n VAL 13 Ca 0.35 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.42 2dar n VAL 13 Cb 1.44 -0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 33.98 2dar n VAL 13 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2dar s GLN 14 N 2.63 2.27 -0.09 5.55 -0.21 0.84 -4.82 119.66 125.83 2dar s GLN 14 Ca 0.77 -1.98 -0.04 0.00 0.02 0.00 0.00 55.36 54.14 2dar s GLN 14 Cb -1.07 -2.04 0.05 0.00 1.00 0.00 0.00 33.01 30.96 2dar s GLN 14 CO 0.56 -0.44 0.19 1.03 -2.12 0.00 0.00 175.29 174.51 2dar s ARG 15 N -4.14 0.08 0.01 2.91 0.52 -1.26 -2.10 118.95 114.98 2dar s ARG 15 Ca 0.34 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 2dar s ARG 15 Cb -0.01 -0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.22 2dar s ARG 15 CO 0.20 -0.26 1.30 0.00 0.02 0.00 0.00 175.30 176.56 2dar s ALA 16 N 1.98 3.52 -0.28 2.13 0.00 -1.26 -4.92 121.76 122.91 2dar s ALA 16 Ca -0.01 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 2dar s ALA 16 Cb -0.12 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 2dar s ALA 16 CO -0.07 -0.73 2.26 -2.00 0.00 0.00 0.00 175.76 175.22 2dar s GLU 17 N 1.91 2.88 -0.32 0.00 2.12 -1.17 -4.75 118.70 119.36 2dar s GLU 17 Ca 0.61 1.88 -0.28 0.00 0.36 0.00 0.00 54.97 57.54 2dar s GLU 17 Cb -0.30 -4.42 -0.05 0.00 0.26 0.00 0.00 34.13 29.62 2dar s GLU 17 CO 0.26 -2.39 2.17 -1.01 -0.54 0.00 0.00 175.26 173.76 2dar s HIS 18 N 9.24 1.28 -0.25 5.30 3.76 -1.26 -3.57 115.29 129.79 2dar s HIS 18 Ca 1.00 0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 56.58 2dar s HIS 18 Cb -0.29 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 29.47 2dar s HIS 18 CO 0.33 -3.43 0.30 0.42 -0.85 0.00 0.00 174.74 171.51 2dar s ILE 19 N 9.04 5.25 0.90 0.60 -1.09 -0.67 -5.00 121.20 130.23 2dar s ILE 19 Ca 0.95 0.45 -0.12 0.00 -2.23 0.00 0.00 60.65 59.70 2dar s ILE 19 Cb -0.26 -3.63 0.13 0.00 -1.58 0.00 0.00 42.46 37.12 2dar s ILE 19 CO 0.32 0.24 1.09 -2.16 -1.23 0.00 0.00 174.94 173.20 2dar s PRO 20 N 1.58 1.20 0.46 2.79 0.04 -1.26 -1.74 135.00 138.07 2dar s PRO 20 Ca 0.13 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 61.74 2dar s PRO 20 Cb -0.15 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2dar s PRO 20 CO 0.08 -2.28 1.22 0.00 0.04 0.00 0.00 177.00 176.06 2dar s ALA 21 N -2.94 3.00 0.00 8.56 0.00 -1.26 -3.13 121.76 125.99 2dar s ALA 21 Ca 0.64 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2dar s ALA 21 Cb -0.18 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2dar s ALA 21 CO 0.57 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2dar n GLY 22 N 0.54 1.84 0.07 0.00 0.00 -1.21 -4.85 105.19 101.58 2dar n GLY 22 Ca 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 -4.49 1.61 1.63 -1.88 -3.44 116.57 109.98 2dar h LYS 23 Ca 0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 2dar h LYS 23 Cb 0.00 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 31.48 2dar h LYS 23 CO 0.00 -0.02 -0.70 0.50 -3.45 0.00 0.00 179.45 175.79 2dar s ARG 24 N -3.42 0.71 -0.49 1.90 3.52 -1.26 -5.09 118.95 114.82 2dar s ARG 24 Ca -0.02 -1.20 0.08 0.00 -0.13 0.00 0.00 55.73 54.45 2dar s ARG 24 Cb 0.02 -0.07 0.36 0.00 -1.56 0.00 0.00 34.95 33.69 2dar s ARG 24 CO 0.10 -0.04 0.90 0.25 -0.81 0.00 0.00 175.30 175.70 2dar n THR 25 N 0.24 1.91 -1.26 4.11 -2.24 -1.26 -4.81 114.28 110.97 2dar n THR 25 Ca -0.14 -5.08 -0.31 0.00 -2.27 0.00 0.00 64.05 56.24 2dar n THR 25 Cb 0.60 -0.93 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.14 2.22 -0.09 -0.78 0.04 -1.26 -4.30 135.00 127.69 2dar s PRO 26 Ca 0.45 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.44 2dar s PRO 26 Cb 0.32 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2dar s PRO 26 CO -0.12 -1.67 0.60 1.41 0.04 0.00 0.00 177.00 177.26 2dar s MET 27 N -4.91 4.39 1.05 4.56 1.75 -1.26 -1.70 119.30 123.19 2dar s MET 27 Ca 0.61 0.68 -0.19 0.00 -1.25 0.00 0.00 55.69 55.55 2dar s MET 27 Cb -0.17 -3.44 0.02 0.00 2.84 0.00 0.00 34.83 34.08 2dar s MET 27 CO 0.56 0.11 -0.24 0.00 -0.65 0.00 0.00 175.02 174.80 2dar n ALA 29 N -3.94 1.49 -0.14 0.00 0.00 -0.67 -3.59 120.51 113.66 2dar n ALA 29 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2dar n ALA 29 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2dar n ALA 29 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2dar n HIS 30 N -2.89 0.00 0.22 0.00 -0.00 -1.26 -4.43 115.22 106.87 2dar n HIS 30 Ca -0.36 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.47 2dar n HIS 30 Cb 1.10 -0.33 0.38 0.00 -0.00 0.00 0.00 29.99 31.14 2dar n HIS 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dar n ASN 32 N -3.23 -2.59 -4.18 0.00 5.15 -1.24 -4.97 115.26 104.20 2dar n ASN 32 Ca 0.01 -0.61 -0.29 0.00 -0.60 0.00 0.00 54.58 53.10 2dar n ASN 32 Cb 0.47 -4.99 -0.16 0.00 -0.53 0.00 0.00 39.78 34.57 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 -5.20 2.28 0.13 1.20 -0.21 -1.26 -4.68 119.66 111.92 2dar s GLN 33 Ca 0.05 -0.74 -0.34 0.00 0.02 0.00 0.00 55.36 54.35 2dar s GLN 33 Cb -0.01 -1.88 -0.17 0.00 1.00 0.00 0.00 33.01 31.95 2dar s GLN 33 CO 0.71 0.25 1.12 1.55 -2.12 0.00 0.00 175.29 176.80 2dar n VAL 34 N 3.24 0.65 -3.98 1.09 3.14 -1.26 -2.45 118.33 118.76 2dar n VAL 34 Ca -0.19 -0.16 -0.35 0.00 -2.96 0.00 0.00 64.34 60.68 2dar n VAL 34 Cb 0.52 -0.60 -0.10 0.00 -1.06 0.00 0.00 33.84 32.60 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 -0.10 4.80 -0.22 1.55 1.01 -0.69 -4.90 121.20 122.65 2dar s ILE 35 Ca 0.78 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 61.24 2dar s ILE 35 Cb -0.96 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 2dar s ILE 35 CO 0.52 0.45 -0.19 0.54 0.00 0.00 0.00 174.94 176.26 2dar n ARG 36 N 3.62 0.55 0.00 2.79 1.74 -1.26 -4.21 116.66 119.89 2dar n ARG 36 Ca -0.16 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2dar n ARG 36 Cb 0.52 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2dar n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dar n GLY 37 N 1.38 -0.82 3.77 -0.13 0.00 -1.26 -3.33 105.19 104.80 2dar n GLY 37 Ca -0.35 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 3.55 0.31 1.61 0.04 -1.26 -4.43 135.00 134.83 2dar s PRO 38 Ca 0.00 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2dar s PRO 38 Cb 0.00 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2dar s PRO 38 CO 0.00 -0.70 0.35 -0.59 0.04 0.00 0.00 177.00 176.10 2dar s PHE 39 N -1.66 1.30 -0.16 0.56 -0.12 -0.71 -4.58 117.98 112.60 2dar s PHE 39 Ca 0.68 -1.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 2dar s PHE 39 Cb -0.26 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 41.78 2dar s PHE 39 CO 0.31 -0.96 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.84 2dar s LEU 40 N -3.26 1.87 -0.38 -1.99 1.43 -1.06 -1.67 118.68 113.62 2dar s LEU 40 Ca 0.35 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2dar s LEU 40 Cb 0.02 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.95 2dar s LEU 40 CO 0.21 -0.04 0.27 0.54 0.23 0.00 0.00 176.35 177.56 2dar s VAL 41 N 1.41 5.16 -0.01 -1.59 0.11 -1.23 -0.47 120.40 123.77 2dar s VAL 41 Ca 0.05 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.41 2dar s VAL 41 Cb -0.13 -3.80 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 2dar s VAL 41 CO -0.11 -0.21 0.27 0.00 -3.33 0.00 0.00 175.10 171.72 2dar s ALA 42 N 1.67 -0.69 -1.32 1.54 0.00 0.36 -3.06 121.76 120.26 2dar s ALA 42 Ca 0.05 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 2dar s ALA 42 Cb -0.19 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2dar s ALA 42 CO 0.10 -0.25 0.91 1.28 0.00 0.00 0.00 175.76 177.79 2dar n LEU 43 N 1.30 -3.06 -3.15 0.00 7.99 -1.26 -2.37 117.00 116.45 2dar n LEU 43 Ca -0.22 -0.42 -0.20 0.00 -0.01 0.00 0.00 56.01 55.16 2dar n LEU 43 Cb 0.56 -2.82 0.07 0.00 -0.11 0.00 0.00 43.42 41.12 2dar n LEU 43 CO 0.22 0.47 0.21 0.61 -1.51 0.00 0.00 177.39 177.39 2dar n GLY 44 N -1.75 -0.33 3.70 -0.72 0.00 -1.26 -4.98 105.19 99.86 2dar n GLY 44 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 2dar n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dar s LYS 45 N -6.12 0.73 0.08 1.61 -2.85 -1.00 -5.18 119.74 107.02 2dar s LYS 45 Ca 0.50 -0.41 0.10 0.00 -1.00 0.00 0.00 55.97 55.15 2dar s LYS 45 Cb -0.22 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.76 2dar s LYS 45 CO 0.62 -0.34 -0.26 -1.12 0.10 0.00 0.00 175.35 174.36 2dar s SER 46 N -3.04 3.11 0.24 0.03 0.01 -1.26 0.13 113.70 112.92 2dar s SER 46 Ca 0.15 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.78 2dar s SER 46 Cb 0.02 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 2dar s SER 46 CO -0.01 0.20 0.01 0.26 0.41 0.00 0.00 173.24 174.11 2dar s TRP 47 N -0.94 1.56 -0.04 2.43 0.52 0.38 -1.68 118.94 121.18 2dar s TRP 47 Ca 0.12 -0.96 -0.28 0.00 0.02 0.00 0.00 56.10 55.00 2dar s TRP 47 Cb -0.10 -0.91 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 2dar s TRP 47 CO 0.04 -0.08 0.91 -1.01 0.02 0.00 0.00 176.95 176.83 2dar s HIS 48 N -3.46 3.61 -2.00 -1.98 3.76 -1.26 -2.57 115.29 111.40 2dar s HIS 48 Ca 0.30 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.84 2dar s HIS 48 Cb 0.06 -3.05 0.46 0.00 1.11 0.00 0.00 32.58 31.16 2dar s HIS 48 CO 0.09 -0.02 0.91 -0.35 -0.85 0.00 0.00 174.74 174.52 2dar n PRO 49 N 4.06 0.49 -0.08 8.40 -0.04 -1.26 -0.48 135.00 146.10 2dar n PRO 49 Ca 0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 2dar n PRO 49 Cb 0.51 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.75 1.42 -0.11 0.54 0.28 -1.26 -4.68 120.64 116.08 2dar n GLU 50 Ca 0.06 0.01 -0.15 0.00 -0.16 0.00 0.00 57.16 56.92 2dar n GLU 50 Cb 0.03 -1.38 -0.11 0.00 1.43 0.00 0.00 31.44 31.40 2dar n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2dar n GLU 51 N -2.62 0.66 -1.39 3.44 0.28 -0.98 -4.94 120.64 115.09 2dar n GLU 51 Ca -0.26 0.11 -0.49 0.00 -0.16 0.00 0.00 57.16 56.36 2dar n GLU 51 Cb 0.97 -1.47 -0.12 0.00 1.43 0.00 0.00 31.44 32.24 2dar n GLU 51 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2dar n PHE 52 N -3.09 0.94 -4.26 -1.84 7.35 0.37 -4.87 117.46 112.07 2dar n PHE 52 Ca -0.39 0.52 -0.15 0.00 -0.76 0.00 0.00 57.45 56.67 2dar n PHE 52 Cb 0.97 -2.37 -0.10 0.00 0.35 0.00 0.00 39.48 38.33 2dar n PHE 52 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2dar s ASN 53 N 7.77 0.80 1.11 -2.13 2.20 -1.26 -2.61 114.94 120.82 2dar s ASN 53 Ca 1.25 -1.48 -0.14 0.00 -0.94 0.00 0.00 52.86 51.55 2dar s ASN 53 Cb -1.27 0.38 0.24 0.00 -2.00 0.00 0.00 41.25 38.60 2dar s ASN 53 CO 0.55 -0.87 1.07 0.00 -2.94 0.00 0.00 177.10 174.91 2dar n ALA 55 N -4.57 3.89 -0.04 0.00 0.00 -0.96 -3.15 120.51 115.68 2dar n ALA 55 Ca 0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 2dar n ALA 55 Cb 0.57 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.78 0.00 0.79 0.00 -0.00 -1.26 -4.72 115.22 108.25 2dar n HIS 56 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.82 2dar n HIS 56 Cb 0.41 -0.30 0.02 0.00 -0.00 0.00 0.00 29.99 30.13 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 0.29 -2.20 -3.80 0.00 4.01 -1.19 -4.80 118.16 110.48 2dar n LYS 58 Ca 0.09 0.28 -0.32 0.00 -0.51 0.00 0.00 58.31 57.84 2dar n LYS 58 Cb 0.41 -4.78 -0.05 0.00 -0.51 0.00 0.00 35.03 30.10 2dar n LYS 58 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2dar s ASN 59 N -3.49 6.43 -0.40 4.39 0.01 -1.26 -4.30 114.94 116.33 2dar s ASN 59 Ca 0.63 0.45 -0.39 0.00 -0.71 0.00 0.00 52.86 52.84 2dar s ASN 59 Cb -0.35 -2.04 -0.15 0.00 0.41 0.00 0.00 41.25 39.12 2dar s ASN 59 CO 0.96 0.16 2.09 1.07 -1.51 0.00 0.00 177.10 179.87 2dar n THR 60 N 0.45 0.13 -1.35 1.60 5.66 -1.26 -0.77 114.28 118.74 2dar n THR 60 Ca -0.06 -0.13 -0.34 0.00 -3.05 0.00 0.00 64.05 60.47 2dar n THR 60 Cb 0.52 -1.15 0.08 0.00 -1.55 0.00 0.00 70.33 68.23 2dar n THR 60 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2dar n MET 61 N 7.41 2.70 -0.04 1.09 2.81 -1.07 -4.57 117.12 125.44 2dar n MET 61 Ca 0.44 -3.30 -0.02 0.00 -1.81 0.00 0.00 57.70 53.00 2dar n MET 61 Cb 0.11 -2.29 -0.01 0.00 -0.71 0.00 0.00 33.22 30.33 2dar n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dar h ALA 62 N 1.97 0.00 0.05 3.04 0.00 -1.87 -3.43 119.26 119.02 2dar h ALA 62 Ca 0.60 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dar h ALA 62 Cb 0.90 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dar h ALA 62 CO 1.56 0.19 -0.03 1.88 0.00 0.00 0.00 179.25 182.86 2dar h TYR 63 N -0.61 -0.06 -2.86 0.00 -1.99 -1.95 -3.42 116.97 106.07 2dar h TYR 63 Ca 0.00 -0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 2dar h TYR 63 Cb 0.19 0.02 0.22 0.00 2.00 0.00 0.00 36.73 39.17 2dar h TYR 63 CO -0.08 0.45 -0.45 0.44 -0.00 0.00 0.00 178.16 178.51 2dar n ILE 64 N -4.76 0.00 -1.80 -2.88 -5.35 -1.26 -4.93 119.36 98.38 2dar n ILE 64 Ca -0.06 -0.38 -0.10 0.00 -0.27 0.00 0.00 62.75 61.94 2dar n ILE 64 Cb 0.27 -0.83 0.06 0.00 -1.74 0.00 0.00 39.64 37.39 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 1.43 -0.38 3.55 3.28 0.00 -1.26 -4.81 105.19 107.00 2dar n GLY 65 Ca 0.02 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.56 -0.46 -0.08 1.61 -0.12 -0.89 -3.53 117.98 112.95 2dar s PHE 66 Ca 0.26 0.74 0.02 0.00 -0.05 0.00 0.00 56.93 57.89 2dar s PHE 66 Cb -0.01 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2dar s PHE 66 CO 0.18 -0.45 -0.12 0.08 -0.05 0.00 0.00 175.22 174.86 2dar s VAL 67 N -1.35 1.15 -0.14 -2.49 1.01 0.93 -0.12 120.40 119.39 2dar s VAL 67 Ca -0.04 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 2dar s VAL 67 Cb -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2dar s VAL 67 CO 0.03 0.37 0.74 -0.70 0.00 0.00 0.00 175.10 175.54 2dar s GLU 68 N 0.90 4.32 -0.27 2.72 2.12 -1.26 -1.10 118.70 126.12 2dar s GLU 68 Ca -0.10 0.88 -0.13 0.00 0.36 0.00 0.00 54.97 55.98 2dar s GLU 68 Cb -0.15 -3.54 0.09 0.00 0.26 0.00 0.00 34.13 30.80 2dar s GLU 68 CO 0.01 -0.18 0.64 -2.00 -0.54 0.00 0.00 175.26 173.18 2dar s GLU 69 N 1.67 0.62 -1.44 4.30 2.12 -0.13 -4.94 118.70 120.90 2dar s GLU 69 Ca 0.36 1.26 -0.05 0.00 0.36 0.00 0.00 54.97 56.89 2dar s GLU 69 Cb -0.17 0.38 0.04 0.00 0.26 0.00 0.00 34.13 34.64 2dar s GLU 69 CO 0.14 -0.17 0.65 1.63 -0.54 0.00 0.00 175.26 176.96 2dar n LYS 70 N 4.74 -4.12 -3.43 4.30 5.02 -1.26 -2.00 118.16 121.40 2dar n LYS 70 Ca -0.17 0.49 -0.18 0.00 -2.02 0.00 0.00 58.31 56.43 2dar n LYS 70 Cb 0.55 -4.96 0.07 0.00 -0.02 0.00 0.00 35.03 30.67 2dar n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dar n GLY 71 N -1.74 -0.66 3.64 0.72 0.00 -1.26 -5.01 105.19 100.87 2dar n GLY 71 Ca -0.19 0.29 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.43 -2.03 -0.25 4.61 0.00 -0.85 -5.14 121.76 114.67 2dar s ALA 72 Ca 0.19 2.10 -0.09 0.00 0.00 0.00 0.00 51.96 54.16 2dar s ALA 72 Cb -0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2dar s ALA 72 CO 0.76 -0.31 0.13 -0.51 0.00 0.00 0.00 175.76 175.83 2dar s LEU 73 N 0.86 3.84 -0.14 0.00 1.43 -1.25 -0.95 118.68 122.46 2dar s LEU 73 Ca -0.04 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2dar s LEU 73 Cb -0.05 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2dar s LEU 73 CO -0.11 0.01 -0.11 -0.31 0.23 0.00 0.00 176.35 176.06 2dar s TYR 74 N 1.39 2.86 0.35 0.29 2.02 -0.26 -2.26 117.35 121.72 2dar s TYR 74 Ca 0.06 -0.66 -0.28 0.00 -0.37 0.00 0.00 57.07 55.83 2dar s TYR 74 Cb -0.15 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.42 2dar s TYR 74 CO 0.06 -0.24 1.31 0.00 -1.57 0.00 0.00 175.55 175.11 2dar n GLU 76 N 0.67 -0.04 0.38 0.00 0.28 -1.23 1.00 120.64 121.71 2dar n GLU 76 Ca 0.01 0.94 -0.18 0.00 -0.16 0.00 0.00 57.16 57.76 2dar n GLU 76 Cb 0.42 -1.75 -0.09 0.00 1.43 0.00 0.00 31.44 31.44 2dar n GLU 76 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2dar h LEU 77 N 0.00 -0.95 0.50 -1.84 3.38 -1.90 0.37 115.31 114.87 2dar h LEU 77 Ca 0.61 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.61 2dar h LEU 77 Cb 1.77 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 2dar h LEU 77 CO -0.46 -0.62 -0.49 0.00 0.09 0.00 0.00 178.44 176.97 2dar h TYR 79 N -0.99 -0.40 -0.02 0.00 5.03 -1.43 0.44 116.97 119.60 2dar h TYR 79 Ca -0.06 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.29 2dar h TYR 79 Cb 0.86 0.22 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 2dar h TYR 79 CO -0.24 -0.23 0.04 1.49 -1.32 0.00 0.00 178.16 177.89 2dar h GLU 80 N -0.14 0.00 0.02 1.82 4.81 -0.06 1.87 114.58 122.91 2dar h GLU 80 Ca 0.14 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.09 2dar h GLU 80 Cb 0.35 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 2dar h GLU 80 CO -0.34 0.00 -1.52 0.87 -0.73 0.00 0.00 179.01 177.29 2dar h LYS 81 N 0.00 0.04 0.00 1.92 1.57 0.19 0.54 116.57 120.84 2dar h LYS 81 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2dar h LYS 81 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2dar h LYS 81 CO -0.00 0.74 -0.78 1.19 -0.57 0.00 0.00 179.45 180.03 2dar n PHE 82 N -3.20 0.15 0.00 -1.35 3.72 0.13 -4.15 117.46 112.76 2dar n PHE 82 Ca -0.13 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2dar n PHE 82 Cb 1.02 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2dar n PHE 82 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2dar n PHE 83 N -4.20 0.00 0.00 1.38 3.01 0.62 -4.24 117.46 114.03 2dar n PHE 83 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2dar n PHE 83 Cb 0.40 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 2dar n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dar n ALA 84 N -1.34 -0.17 -1.77 4.37 0.00 -1.07 -4.67 120.51 115.86 2dar n ALA 84 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2dar n ALA 84 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.57 2dar n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dar s SER 85 N -2.30 5.65 -0.30 0.00 0.15 0.18 -5.00 113.70 112.08 2dar s SER 85 Ca 0.00 2.27 -0.11 0.00 0.70 0.00 0.00 55.95 58.81 2dar s SER 85 Cb 0.00 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 2dar s SER 85 CO 0.00 -1.27 0.76 -0.83 1.20 0.00 0.00 173.24 173.10 2dar s GLY 86 N -1.62 -0.58 -0.03 9.45 0.00 -1.26 -3.88 107.32 109.40 2dar s GLY 86 Ca 0.72 2.54 -0.30 0.00 0.00 0.00 0.00 44.72 47.68 2dar s GLY 86 CO 0.30 3.15 1.47 2.56 0.00 0.00 0.00 173.10 180.59 2dar s PRO 87 N 2.76 4.24 -0.03 2.90 0.04 -1.26 -4.93 135.00 138.73 2dar s PRO 87 Ca -0.03 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2dar s PRO 87 Cb -0.10 -3.70 -0.27 0.00 0.04 0.00 0.00 34.50 30.47 2dar s PRO 87 CO -0.19 -0.67 0.99 0.66 0.04 0.00 0.00 177.00 177.84 2dar h SER 88 N 8.33 0.45 -0.31 6.66 4.64 -2.05 -3.28 113.55 127.99 2dar h SER 88 Ca -0.37 -0.85 -0.21 0.00 -0.47 0.00 0.00 61.79 59.89 2dar h SER 88 Cb 1.17 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 63.03 2dar h SER 88 CO 0.93 1.25 0.23 -1.20 -0.87 0.00 0.00 176.83 177.17 2dar n SER 89 N -4.23 6.02 0.00 4.97 7.64 -1.26 -5.38 113.62 121.38 2dar n SER 89 Ca -0.12 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 56.95 2dar n SER 89 Cb 0.71 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2dar n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64