#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dar n SER 2 N 0.00 2.08 -0.23 1.61 3.41 -1.26 -4.80 113.62 114.43 2dar n SER 2 Ca 0.00 0.94 0.14 0.00 -0.26 0.00 0.00 58.87 59.70 2dar n SER 2 Cb 0.00 -1.11 0.61 0.00 -0.26 0.00 0.00 64.21 63.45 2dar n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dar n SER 3 N 6.18 0.81 0.00 4.04 3.41 -1.26 -5.02 113.62 121.78 2dar n SER 3 Ca 0.32 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 2dar n SER 3 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2dar n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dar n GLY 4 N 1.20 1.09 4.40 5.00 0.00 -1.26 -4.99 105.19 110.63 2dar n GLY 4 Ca 0.17 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.04 -4.25 1.61 7.64 -1.26 -4.90 113.62 110.41 2dar n SER 5 Ca 0.00 -1.16 -0.14 0.00 1.01 0.00 0.00 58.87 58.58 2dar n SER 5 Cb 0.00 -2.04 -0.10 0.00 -1.01 0.00 0.00 64.21 61.06 2dar n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dar s SER 6 N -3.40 0.64 -0.28 6.43 1.04 -1.26 -5.08 113.70 111.78 2dar s SER 6 Ca 0.71 -1.39 0.20 0.00 0.48 0.00 0.00 55.95 55.95 2dar s SER 6 Cb -0.40 0.28 0.49 0.00 0.10 0.00 0.00 66.02 66.49 2dar s SER 6 CO 0.99 -0.79 1.10 0.61 0.98 0.00 0.00 173.24 176.13 2dar n GLY 7 N -0.36 2.43 3.33 7.32 0.00 -1.26 -5.11 105.19 111.54 2dar n GLY 7 Ca 0.01 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2dar n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dar n ASP 8 N -0.53 -2.22 -4.57 1.61 8.00 -1.26 -4.75 116.55 112.83 2dar n ASP 8 Ca 0.13 -0.16 -0.28 0.00 0.71 0.00 0.00 54.79 55.19 2dar n ASP 8 Cb 0.82 -1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 40.82 2dar n ASP 8 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dar s GLN 9 N -3.76 2.55 -0.02 -1.24 -0.21 -1.26 -4.91 119.66 110.81 2dar s GLN 9 Ca 0.60 -0.78 0.07 0.00 0.02 0.00 0.00 55.36 55.28 2dar s GLN 9 Cb -0.16 -5.17 -0.02 0.00 1.00 0.00 0.00 33.01 28.66 2dar s GLN 9 CO 0.66 -3.67 -0.24 0.34 -2.12 0.00 0.00 175.29 170.27 2dar s ASP 10 N 7.15 3.27 0.03 5.90 -1.08 -1.26 -5.14 116.67 125.55 2dar s ASP 10 Ca 0.69 -0.43 0.05 0.00 -0.52 0.00 0.00 52.55 52.34 2dar s ASP 10 Cb -0.03 -0.44 -0.02 0.00 -1.46 0.00 0.00 42.92 40.97 2dar s ASP 10 CO 0.07 0.32 -0.14 -0.89 0.52 0.00 0.00 175.17 175.04 2dar s THR 11 N -0.66 1.11 0.42 1.71 2.01 -1.26 -5.00 115.64 113.96 2dar s THR 11 Ca 0.11 -0.96 0.37 0.00 0.31 0.00 0.00 61.69 61.51 2dar s THR 11 Cb -0.10 -1.00 0.55 0.00 0.01 0.00 0.00 72.50 71.96 2dar s THR 11 CO -0.00 0.03 1.22 0.00 -0.69 0.00 0.00 174.62 175.18 2dar n LEU 12 N 1.97 0.03 -3.57 4.42 -0.00 -1.26 -4.53 117.00 114.06 2dar n LEU 12 Ca -0.18 0.84 -0.51 0.00 -0.00 0.00 0.00 56.01 56.17 2dar n LEU 12 Cb 0.55 -0.42 -0.08 0.00 -0.00 0.00 0.00 43.42 43.47 2dar n LEU 12 CO 0.23 -0.86 0.89 0.52 -0.00 0.00 0.00 177.39 178.17 2dar n VAL 13 N -3.66 0.00 -3.74 1.47 0.31 -1.26 -4.92 118.33 106.53 2dar n VAL 13 Ca 0.34 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.44 2dar n VAL 13 Cb 1.52 -0.38 -0.03 0.00 -0.91 0.00 0.00 33.84 34.04 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 2.38 2.38 -0.00 5.55 -0.21 -0.66 -4.86 119.66 124.23 2dar s GLN 14 Ca 0.80 -1.76 0.00 0.00 0.02 0.00 0.00 55.36 54.42 2dar s GLN 14 Cb -1.13 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 30.65 2dar s GLN 14 CO 0.61 -0.36 0.00 1.03 -2.12 0.00 0.00 175.29 174.46 2dar s ARG 15 N -4.17 0.03 0.01 2.91 0.52 -1.26 -1.81 118.95 115.18 2dar s ARG 15 Ca 0.43 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 2dar s ARG 15 Cb -0.02 -0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.34 2dar s ARG 15 CO 0.25 -0.02 0.99 0.00 0.02 0.00 0.00 175.30 176.54 2dar s ALA 16 N 0.18 3.18 -0.36 2.13 0.00 -1.26 -4.96 121.76 120.66 2dar s ALA 16 Ca -0.01 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 2dar s ALA 16 Cb -0.02 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2dar s ALA 16 CO -0.01 -0.22 1.62 -2.00 0.00 0.00 0.00 175.76 175.15 2dar s GLU 17 N 0.92 3.45 0.06 0.00 2.12 -1.09 -4.83 118.70 119.33 2dar s GLU 17 Ca 0.52 1.21 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 2dar s GLU 17 Cb -0.22 -4.12 -0.09 0.00 0.26 0.00 0.00 34.13 29.97 2dar s GLU 17 CO 0.28 -1.71 1.85 -1.01 -0.54 0.00 0.00 175.26 174.13 2dar s HIS 18 N 6.19 1.75 -0.19 5.30 3.76 -1.26 -2.97 115.29 127.87 2dar s HIS 18 Ca 0.71 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.44 2dar s HIS 18 Cb -0.19 -4.16 -0.00 0.00 1.11 0.00 0.00 32.58 29.35 2dar s HIS 18 CO 0.33 -4.97 -0.11 0.42 -0.85 0.00 0.00 174.74 169.56 2dar s ILE 19 N 3.68 2.88 1.02 0.60 -1.09 -0.03 -5.02 121.20 123.25 2dar s ILE 19 Ca 0.83 -0.67 -0.13 0.00 -2.23 0.00 0.00 60.65 58.45 2dar s ILE 19 Cb -0.42 -2.27 0.20 0.00 -1.58 0.00 0.00 42.46 38.39 2dar s ILE 19 CO 0.38 0.48 1.09 -2.16 -1.23 0.00 0.00 174.94 173.50 2dar s PRO 20 N 1.22 0.27 0.56 2.79 0.04 -1.26 -1.27 135.00 137.35 2dar s PRO 20 Ca 0.02 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.35 2dar s PRO 20 Cb -0.14 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2dar s PRO 20 CO -0.05 -2.83 1.09 0.00 0.04 0.00 0.00 177.00 175.25 2dar s ALA 21 N -2.96 2.70 0.00 8.56 0.00 -1.26 -3.69 121.76 125.10 2dar s ALA 21 Ca 0.66 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2dar s ALA 21 Cb -0.19 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2dar s ALA 21 CO 0.58 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2dar n GLY 22 N -0.30 2.04 0.36 0.00 0.00 -1.26 -4.78 105.19 101.24 2dar n GLY 22 Ca 0.10 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.89 2dar n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dar h LYS 23 N 0.00 -0.00 -1.88 1.61 1.79 -1.95 -3.42 116.57 112.71 2dar h LYS 23 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2dar h LYS 23 Cb 0.00 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.45 2dar h LYS 23 CO 0.00 -0.00 0.28 0.50 -1.08 0.00 0.00 179.45 179.15 2dar s ARG 24 N -6.25 0.92 -0.57 3.15 3.52 -1.26 -5.09 118.95 113.36 2dar s ARG 24 Ca -0.15 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.80 2dar s ARG 24 Cb 0.27 0.43 0.27 0.00 -1.56 0.00 0.00 34.95 34.37 2dar s ARG 24 CO 0.78 -0.27 0.75 0.25 -0.81 0.00 0.00 175.30 175.99 2dar n THR 25 N 1.01 1.86 -1.21 4.11 -2.24 -1.26 -4.83 114.28 111.72 2dar n THR 25 Ca -0.16 -5.06 -0.30 0.00 -2.27 0.00 0.00 64.05 56.26 2dar n THR 25 Cb 0.57 -1.84 0.13 0.00 -2.10 0.00 0.00 70.33 67.09 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 -2.46 1.48 -0.21 -0.78 0.04 -1.26 -4.44 135.00 127.37 2dar s PRO 26 Ca 0.41 0.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 2dar s PRO 26 Cb 0.19 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.87 2dar s PRO 26 CO -0.06 -2.11 0.59 1.41 0.04 0.00 0.00 177.00 176.88 2dar s MET 27 N -4.93 4.19 0.98 4.56 1.75 -1.26 -1.73 119.30 122.86 2dar s MET 27 Ca 0.63 0.54 -0.15 0.00 -1.25 0.00 0.00 55.69 55.46 2dar s MET 27 Cb -0.18 -3.58 -0.06 0.00 2.84 0.00 0.00 34.83 33.85 2dar s MET 27 CO 0.57 -0.24 -0.24 0.00 -0.65 0.00 0.00 175.02 174.46 2dar n ALA 29 N -3.07 2.68 -0.06 0.00 0.00 -1.21 -3.67 120.51 115.18 2dar n ALA 29 Ca 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 2dar n ALA 29 Cb 0.55 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.00 0.26 0.45 0.00 -0.00 -1.26 -4.55 115.22 108.12 2dar n HIS 30 Ca -0.03 0.11 0.13 0.00 -0.00 0.00 0.00 57.72 57.93 2dar n HIS 30 Cb 0.40 -0.47 0.28 0.00 -0.00 0.00 0.00 29.99 30.21 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 -2.58 -6.17 -4.19 0.00 4.13 -1.24 -5.00 115.26 100.21 2dar n ASN 32 Ca 0.05 -0.46 -0.30 0.00 1.68 0.00 0.00 54.58 55.54 2dar n ASN 32 Cb 0.47 -4.83 -0.17 0.00 -1.54 0.00 0.00 39.78 33.71 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2dar s GLN 33 N -6.13 2.50 0.21 3.52 -0.21 -1.26 -4.75 119.66 113.53 2dar s GLN 33 Ca 0.50 -0.78 -0.31 0.00 0.02 0.00 0.00 55.36 54.79 2dar s GLN 33 Cb -0.22 -2.01 -0.15 0.00 1.00 0.00 0.00 33.01 31.63 2dar s GLN 33 CO 0.62 0.23 1.13 1.55 -2.12 0.00 0.00 175.29 176.70 2dar n VAL 34 N 3.33 1.19 -3.15 1.09 3.14 -1.26 -2.40 118.33 120.27 2dar n VAL 34 Ca -0.19 -0.30 -0.44 0.00 -2.96 0.00 0.00 64.34 60.46 2dar n VAL 34 Cb 0.53 -0.90 -0.06 0.00 -1.06 0.00 0.00 33.84 32.34 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 -0.42 4.87 -0.18 1.55 1.01 -0.70 -4.88 121.20 122.46 2dar s ILE 35 Ca 0.69 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.90 2dar s ILE 35 Cb -0.80 -4.29 0.26 0.00 0.01 0.00 0.00 42.46 37.63 2dar s ILE 35 CO 0.54 -0.79 1.39 0.54 0.00 0.00 0.00 174.94 176.62 2dar n ARG 36 N 6.18 1.49 0.00 2.79 1.74 -1.26 -4.45 116.66 123.15 2dar n ARG 36 Ca -0.06 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 2dar n ARG 36 Cb 0.46 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.10 2.89 3.70 -0.13 0.00 -1.26 -4.88 105.19 105.40 2dar n GLY 37 Ca 0.23 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 1.30 4.31 0.37 1.61 0.04 -1.26 -4.43 135.00 136.94 2dar s PRO 38 Ca 0.00 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2dar s PRO 38 Cb 0.00 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2dar s PRO 38 CO 0.00 -0.49 0.07 -0.59 0.04 0.00 0.00 177.00 176.04 2dar s PHE 39 N 1.62 1.93 -0.15 0.56 -0.12 -0.39 -4.35 117.98 117.08 2dar s PHE 39 Ca 0.64 -1.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.49 2dar s PHE 39 Cb -0.35 -1.30 0.02 0.00 -0.63 0.00 0.00 43.02 40.76 2dar s PHE 39 CO 0.29 -0.05 -0.19 -0.51 -0.05 0.00 0.00 175.22 174.71 2dar s LEU 40 N -3.57 2.00 -0.37 -1.99 1.43 -0.71 -0.85 118.68 114.62 2dar s LEU 40 Ca 0.30 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 2dar s LEU 40 Cb 0.06 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.92 2dar s LEU 40 CO 0.14 0.03 0.49 0.54 0.23 0.00 0.00 176.35 177.78 2dar s VAL 41 N 1.08 5.03 -0.04 -1.59 0.11 -1.16 -1.44 120.40 122.39 2dar s VAL 41 Ca -0.02 0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 2dar s VAL 41 Cb -0.14 -3.99 0.02 0.00 -1.53 0.00 0.00 36.38 30.73 2dar s VAL 41 CO -0.07 -0.29 0.23 0.00 -3.33 0.00 0.00 175.10 171.65 2dar s ALA 42 N 2.35 -0.57 -1.69 1.54 0.00 0.19 -2.67 121.76 120.91 2dar s ALA 42 Ca 0.17 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2dar s ALA 42 Cb -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2dar s ALA 42 CO 0.14 -0.19 0.00 1.28 0.00 0.00 0.00 175.76 176.99 2dar n LEU 43 N 1.98 -1.64 0.00 0.00 7.99 -1.26 -1.20 117.00 122.87 2dar n LEU 43 Ca -0.19 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 2dar n LEU 43 Cb 0.57 -2.59 0.00 0.00 -0.11 0.00 0.00 43.42 41.29 2dar n LEU 43 CO 0.20 -0.47 0.00 0.61 -1.51 0.00 0.00 177.39 176.22 2dar n GLY 44 N -0.92 0.66 3.46 -0.72 0.00 -1.26 -4.99 105.19 101.42 2dar n GLY 44 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2dar n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dar s LYS 45 N -0.17 1.78 0.32 1.61 1.02 -0.34 -5.15 119.74 118.80 2dar s LYS 45 Ca 0.00 -2.05 0.09 0.00 0.02 0.00 0.00 55.97 54.03 2dar s LYS 45 Cb 0.00 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 2dar s LYS 45 CO 0.00 -0.39 0.08 -1.54 -0.92 0.00 0.00 175.35 172.58 2dar s SER 46 N -3.53 4.58 -0.07 2.83 1.04 -1.26 0.53 113.70 117.82 2dar s SER 46 Ca 0.29 -0.76 -0.29 0.00 0.48 0.00 0.00 55.95 55.67 2dar s SER 46 Cb 0.05 -0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.49 2dar s SER 46 CO 0.15 -0.20 0.65 0.26 0.98 0.00 0.00 173.24 175.08 2dar s TRP 47 N -2.41 -0.63 0.24 5.02 0.52 -0.52 -3.35 118.94 117.82 2dar s TRP 47 Ca 0.35 1.12 -0.30 0.00 0.02 0.00 0.00 56.10 57.30 2dar s TRP 47 Cb -0.03 0.37 -0.09 0.00 -1.15 0.00 0.00 33.47 32.56 2dar s TRP 47 CO 0.21 -0.57 1.23 -1.01 0.02 0.00 0.00 176.95 176.84 2dar s HIS 48 N -1.05 3.33 -1.24 -1.98 3.76 -1.26 -1.73 115.29 115.12 2dar s HIS 48 Ca -0.10 1.43 0.14 0.00 -0.15 0.00 0.00 55.06 56.38 2dar s HIS 48 Cb -0.01 -3.50 0.68 0.00 1.11 0.00 0.00 32.58 30.86 2dar s HIS 48 CO 0.09 -1.38 1.42 -0.35 -0.85 0.00 0.00 174.74 173.67 2dar n PRO 49 N 1.84 0.11 -0.01 8.40 -0.04 -1.26 -0.14 135.00 143.90 2dar n PRO 49 Ca 0.03 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2dar n PRO 49 Cb 0.43 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.38 0.61 -0.11 0.54 0.28 -1.26 -4.57 120.64 114.75 2dar n GLU 50 Ca 0.05 -0.17 -0.16 0.00 -0.16 0.00 0.00 57.16 56.73 2dar n GLU 50 Cb 0.14 -1.46 -0.11 0.00 1.43 0.00 0.00 31.44 31.44 2dar n GLU 50 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2dar n GLU 51 N -2.20 0.58 -1.52 3.44 1.02 -0.93 -4.89 120.64 116.14 2dar n GLU 51 Ca -0.05 0.13 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 2dar n GLU 51 Cb 0.54 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.35 2dar n GLU 51 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dar n PHE 52 N -3.16 0.55 -4.11 -0.32 7.35 0.80 -4.85 117.46 113.73 2dar n PHE 52 Ca -0.40 0.10 -0.15 0.00 -0.76 0.00 0.00 57.45 56.25 2dar n PHE 52 Cb 0.93 -1.66 -0.11 0.00 0.35 0.00 0.00 39.48 38.99 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 5.97 1.17 0.99 -2.13 0.01 -1.26 -3.05 114.94 116.64 2dar s ASN 53 Ca 1.21 -0.61 -0.15 0.00 -0.71 0.00 0.00 52.86 52.59 2dar s ASN 53 Cb -0.72 0.01 0.10 0.00 0.41 0.00 0.00 41.25 41.05 2dar s ASN 53 CO 0.41 -0.18 0.02 0.00 -1.51 0.00 0.00 177.10 175.84 2dar n ALA 55 N -4.19 3.59 0.02 0.00 0.00 -1.12 -3.86 120.51 114.95 2dar n ALA 55 Ca 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 2dar n ALA 55 Cb 0.42 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.76 0.00 1.47 0.00 -0.00 -1.26 -4.72 115.22 108.95 2dar n HIS 56 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.87 2dar n HIS 56 Cb 0.38 -0.10 0.68 0.00 -0.00 0.00 0.00 29.99 30.95 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 -1.02 -1.48 -3.06 0.00 4.76 -1.25 -4.87 118.16 111.24 2dar n LYS 58 Ca 0.15 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.46 2dar n LYS 58 Cb 0.25 -4.62 0.01 0.00 -1.84 0.00 0.00 35.03 28.84 2dar n LYS 58 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2dar s ASN 59 N -2.82 5.84 0.06 4.39 3.84 -1.26 -4.52 114.94 120.47 2dar s ASN 59 Ca 0.55 0.19 -0.30 0.00 0.21 0.00 0.00 52.86 53.52 2dar s ASN 59 Cb -0.32 -1.46 -0.09 0.00 -0.55 0.00 0.00 41.25 38.82 2dar s ASN 59 CO 0.68 -0.67 1.90 0.28 -2.79 0.00 0.00 177.10 176.51 2dar s THR 60 N -2.49 2.89 -0.39 -5.21 -1.32 -1.26 -1.47 115.64 106.38 2dar s THR 60 Ca 0.48 0.07 0.05 0.00 -1.21 0.00 0.00 61.69 61.08 2dar s THR 60 Cb -0.10 -3.05 0.47 0.00 -1.51 0.00 0.00 72.50 68.32 2dar s THR 60 CO 0.37 -0.00 1.50 0.23 -2.21 0.00 0.00 174.62 174.50 2dar n MET 61 N 6.88 2.82 -0.10 7.08 2.81 -1.17 -4.59 117.12 130.85 2dar n MET 61 Ca 0.19 -3.64 -0.19 0.00 -1.81 0.00 0.00 57.70 52.26 2dar n MET 61 Cb 0.40 -2.14 -0.10 0.00 -0.71 0.00 0.00 33.22 30.67 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 1.76 0.21 0.07 3.04 0.00 -1.90 -3.42 119.26 119.03 2dar h ALA 62 Ca 0.39 -1.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 2dar h ALA 62 Cb 1.40 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 2dar h ALA 62 CO 0.87 0.64 -0.93 1.88 0.00 0.00 0.00 179.25 181.72 2dar h TYR 63 N -1.00 0.28 -3.84 0.00 -1.99 -1.95 -3.43 116.97 105.03 2dar h TYR 63 Ca -0.28 -0.20 -0.45 0.00 2.00 0.00 0.00 58.73 59.80 2dar h TYR 63 Cb 1.15 -0.01 0.16 0.00 2.00 0.00 0.00 36.73 40.03 2dar h TYR 63 CO 0.05 1.36 0.19 0.96 -0.00 0.00 0.00 178.16 180.72 2dar s ILE 64 N -2.39 1.96 0.00 -2.88 -4.36 -1.26 -4.98 121.20 107.29 2dar s ILE 64 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 2dar s ILE 64 Cb 0.02 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.22 2dar s ILE 64 CO 0.73 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.52 2dar n GLY 65 N -1.16 0.09 3.54 6.27 0.00 -1.26 -4.76 105.19 107.90 2dar n GLY 65 Ca 0.06 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 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 0.21 -0.26 -0.05 1.61 -0.12 -0.75 -4.12 117.98 114.49 2dar s PHE 66 Ca 0.00 0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.05 2dar s PHE 66 Cb 0.00 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2dar s PHE 66 CO 0.00 -0.41 -0.07 0.08 -0.05 0.00 0.00 175.22 174.78 2dar s VAL 67 N -2.83 0.71 -0.19 -2.49 1.01 0.48 -1.65 120.40 115.44 2dar s VAL 67 Ca 0.07 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2dar s VAL 67 Cb -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2dar s VAL 67 CO -0.07 0.26 0.67 -0.70 0.00 0.00 0.00 175.10 175.26 2dar s GLU 68 N 0.83 4.24 -0.13 2.72 2.12 -1.26 -1.05 118.70 126.17 2dar s GLU 68 Ca -0.12 0.70 -0.06 0.00 0.36 0.00 0.00 54.97 55.85 2dar s GLU 68 Cb -0.15 -3.57 0.06 0.00 0.26 0.00 0.00 34.13 30.73 2dar s GLU 68 CO 0.01 -0.24 0.30 -2.00 -0.54 0.00 0.00 175.26 172.78 2dar s GLU 69 N 1.92 0.24 -1.47 4.30 2.12 0.90 -4.92 118.70 121.79 2dar s GLU 69 Ca 0.31 0.66 -0.06 0.00 0.36 0.00 0.00 54.97 56.25 2dar s GLU 69 Cb -0.16 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.18 2dar s GLU 69 CO 0.11 -0.19 0.18 1.63 -0.54 0.00 0.00 175.26 176.45 2dar n LYS 70 N 4.55 -1.22 -3.49 4.30 5.02 -1.26 -0.41 118.16 125.65 2dar n LYS 70 Ca -0.20 0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 2dar n LYS 70 Cb 0.53 -3.59 0.08 0.00 -0.02 0.00 0.00 35.03 32.03 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 -2.40 -0.38 3.46 0.72 0.00 -1.26 -5.01 105.19 100.31 2dar n GLY 71 Ca -0.29 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.38 -1.40 -0.25 4.61 0.00 0.45 -5.15 121.76 116.64 2dar s ALA 72 Ca 0.10 1.69 -0.08 0.00 0.00 0.00 0.00 51.96 53.66 2dar s ALA 72 Cb -0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2dar s ALA 72 CO 0.74 -0.28 0.11 -0.51 0.00 0.00 0.00 175.76 175.82 2dar s LEU 73 N 0.65 3.68 -0.13 0.00 1.43 -1.26 -0.07 118.68 122.98 2dar s LEU 73 Ca -0.03 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2dar s LEU 73 Cb -0.05 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2dar s LEU 73 CO -0.04 -0.01 -0.18 -0.31 0.23 0.00 0.00 176.35 176.04 2dar s TYR 74 N 1.46 2.36 0.71 0.29 2.02 -0.21 -2.78 117.35 121.20 2dar s TYR 74 Ca 0.06 -1.19 -0.16 0.00 -0.37 0.00 0.00 57.07 55.41 2dar s TYR 74 Cb -0.15 -1.65 0.03 0.00 -0.40 0.00 0.00 41.96 39.79 2dar s TYR 74 CO 0.05 -0.58 1.23 0.00 -1.57 0.00 0.00 175.55 174.68 2dar h GLU 76 N -0.10 0.12 0.59 0.00 4.11 -1.90 -0.08 114.58 117.33 2dar h GLU 76 Ca -0.48 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2dar h GLU 76 Cb 1.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2dar h GLU 76 CO 0.50 0.08 -0.33 -0.07 0.07 0.00 0.00 179.01 179.26 2dar h LEU 77 N 0.13 -0.81 -0.39 3.06 3.38 -1.94 0.40 115.31 119.14 2dar h LEU 77 Ca 0.81 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.90 2dar h LEU 77 Cb 2.11 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 43.00 2dar h LEU 77 CO -0.65 -0.53 -0.25 0.00 0.09 0.00 0.00 178.44 177.10 2dar h TYR 79 N -0.18 -0.68 0.00 0.00 5.03 -1.23 0.08 116.97 119.98 2dar h TYR 79 Ca 0.19 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.49 2dar h TYR 79 Cb 0.48 0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.00 2dar h TYR 79 CO -0.47 -0.39 0.36 1.49 -1.32 0.00 0.00 178.16 177.83 2dar h GLU 80 N -0.65 0.00 0.03 1.82 4.81 0.01 1.26 114.58 121.87 2dar h GLU 80 Ca -0.06 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2dar h GLU 80 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2dar h GLU 80 CO 0.07 0.00 -0.25 0.87 -0.73 0.00 0.00 179.01 178.97 2dar h LYS 81 N 0.00 0.07 0.00 1.92 1.57 0.53 -3.19 116.57 117.47 2dar h LYS 81 Ca 0.00 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 2dar h LYS 81 Cb 0.72 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2dar h LYS 81 CO 0.00 1.06 -0.86 1.19 -0.57 0.00 0.00 179.45 180.27 2dar n PHE 82 N -4.49 0.93 0.33 -1.35 3.72 -0.06 -4.52 117.46 112.02 2dar n PHE 82 Ca -0.12 0.40 -0.19 0.00 -0.05 0.00 0.00 57.45 57.50 2dar n PHE 82 Cb 0.57 -0.90 -0.10 0.00 -0.94 0.00 0.00 39.48 38.11 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 -1.00 -1.36 -1.60 1.38 -1.00 0.13 -3.32 116.94 110.17 2dar h PHE 83 Ca -0.15 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 59.98 2dar h PHE 83 Cb 0.85 0.52 -0.13 0.00 3.61 0.00 0.00 35.95 40.80 2dar h PHE 83 CO -0.10 -0.68 1.36 0.00 -1.61 0.00 0.00 178.31 177.28 2dar s ALA 84 N -5.90 3.13 -0.20 2.45 0.00 -1.13 -4.73 121.76 115.39 2dar s ALA 84 Ca -0.18 -2.62 -0.05 0.00 0.00 0.00 0.00 51.96 49.11 2dar s ALA 84 Cb 0.04 -4.35 -0.21 0.00 0.00 0.00 0.00 23.12 18.60 2dar s ALA 84 CO 0.61 -3.29 0.06 0.43 0.00 0.00 0.00 175.76 173.57 2dar n SER 85 N 7.74 2.04 0.00 0.00 7.64 -1.25 -4.43 113.62 125.36 2dar n SER 85 Ca 0.33 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2dar n SER 85 Cb 0.49 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2dar n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dar n GLY 86 N 2.00 2.18 3.56 0.23 0.00 -1.26 -5.08 105.19 106.81 2dar n GLY 86 Ca -0.39 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 2dar n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dar s PRO 87 N -0.62 2.56 0.40 1.61 0.04 -1.26 -4.95 135.00 132.79 2dar s PRO 87 Ca 0.00 -0.23 -0.24 0.00 0.04 0.00 0.00 61.00 60.57 2dar s PRO 87 Cb 0.00 -5.02 -0.11 0.00 0.04 0.00 0.00 34.50 29.41 2dar s PRO 87 CO 0.00 -3.33 0.93 0.43 0.04 0.00 0.00 177.00 175.07 2dar n SER 88 N 13.89 0.90 -0.34 6.66 7.64 -1.26 -4.85 113.62 136.26 2dar n SER 88 Ca 0.39 1.03 -0.04 0.00 1.01 0.00 0.00 58.87 61.26 2dar n SER 88 Cb 0.47 -1.30 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 2dar n SER 88 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dar h SER 89 N 1.47 -1.50 -0.00 6.43 0.02 -2.08 -3.56 113.55 114.32 2dar h SER 89 Ca -0.43 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2dar h SER 89 Cb 1.35 0.75 0.00 0.00 0.14 0.00 0.00 62.40 64.64 2dar h SER 89 CO 0.56 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.57