#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 1.92 -4.02 1.61 2.88 -1.26 -4.99 113.62 109.77 2dar n SER 2 Ca 0.00 0.35 -0.31 0.00 -1.33 0.00 0.00 58.87 57.58 2dar n SER 2 Cb 0.00 -0.87 -0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2dar n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dar n SER 3 N -4.25 -3.22 0.00 -3.46 2.88 -1.26 -4.95 113.62 99.36 2dar n SER 3 Ca -0.43 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 2dar n SER 3 Cb 0.81 -3.36 0.00 0.00 -0.75 0.00 0.00 64.21 60.91 2dar n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dar n GLY 4 N -1.63 6.55 2.98 0.46 0.00 -1.26 -5.16 105.19 107.13 2dar n GLY 4 Ca -0.03 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 2dar n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dar s SER 5 N 0.64 -0.12 -0.24 1.61 0.01 -1.26 -5.15 113.70 109.18 2dar s SER 5 Ca 0.00 0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.39 2dar s SER 5 Cb 0.00 0.24 0.07 0.00 0.21 0.00 0.00 66.02 66.54 2dar s SER 5 CO 0.00 -0.07 0.59 -0.94 0.41 0.00 0.00 173.24 173.22 2dar s SER 6 N 0.39 -0.79 -0.28 2.44 1.04 -1.26 -5.16 113.70 110.08 2dar s SER 6 Ca -0.03 1.28 -0.25 0.00 0.48 0.00 0.00 55.95 57.43 2dar s SER 6 Cb -0.04 1.16 0.16 0.00 0.10 0.00 0.00 66.02 67.40 2dar s SER 6 CO -0.02 -0.22 1.24 -0.83 0.98 0.00 0.00 173.24 174.39 2dar s GLY 7 N 1.54 0.09 0.25 7.32 0.00 -1.26 -5.17 107.32 110.09 2dar s GLY 7 Ca -0.10 3.06 -0.02 0.00 0.00 0.00 0.00 44.72 47.66 2dar s GLY 7 CO -0.17 1.82 0.46 0.51 0.00 0.00 0.00 173.10 175.72 2dar s ASP 8 N 0.02 6.40 0.09 1.64 1.47 -1.26 -5.10 116.67 119.93 2dar s ASP 8 Ca 0.05 0.52 0.03 0.00 1.18 0.00 0.00 52.55 54.33 2dar s ASP 8 Cb -0.05 -2.06 -0.04 0.00 -0.34 0.00 0.00 42.92 40.43 2dar s ASP 8 CO -0.10 -0.12 0.12 -1.58 0.68 0.00 0.00 175.17 174.17 2dar s GLN 9 N -3.48 3.01 0.19 2.11 2.00 -1.26 -5.12 119.66 117.11 2dar s GLN 9 Ca 0.41 -0.67 -0.10 0.00 -2.00 0.00 0.00 55.36 52.99 2dar s GLN 9 Cb -0.11 -2.78 -0.00 0.00 0.80 0.00 0.00 33.01 30.92 2dar s GLN 9 CO 0.30 0.56 0.35 -0.51 -0.50 0.00 0.00 175.29 175.49 2dar s ASP 10 N -2.57 -0.02 0.40 6.67 1.01 -1.26 -5.15 116.67 115.75 2dar s ASP 10 Ca 0.31 -0.86 -0.26 0.00 0.71 0.00 0.00 52.55 52.44 2dar s ASP 10 Cb -0.12 0.49 -0.09 0.00 1.01 0.00 0.00 42.92 44.21 2dar s ASP 10 CO 0.24 -0.97 1.29 -0.89 0.21 0.00 0.00 175.17 175.05 2dar s THR 11 N -3.98 2.69 0.56 -1.27 2.01 -1.26 -4.84 115.64 109.56 2dar s THR 11 Ca 0.19 0.62 0.48 0.00 0.31 0.00 0.00 61.69 63.29 2dar s THR 11 Cb 0.02 -3.37 0.71 0.00 0.01 0.00 0.00 72.50 69.88 2dar s THR 11 CO 0.02 0.09 1.55 0.17 -0.69 0.00 0.00 174.62 175.77 2dar h LEU 12 N 2.74 0.00 -8.96 4.42 -0.00 -2.01 -3.41 115.31 108.10 2dar h LEU 12 Ca -0.49 0.00 -0.87 0.00 -0.00 0.00 0.00 57.88 56.52 2dar h LEU 12 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2dar h LEU 12 CO 0.63 0.00 0.74 0.52 -0.00 0.00 0.00 178.44 180.33 2dar n VAL 13 N -3.87 0.02 -2.29 0.15 0.31 -1.26 -4.93 118.33 106.46 2dar n VAL 13 Ca 0.43 -0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.52 2dar n VAL 13 Cb 1.97 -0.55 0.14 0.00 -0.91 0.00 0.00 33.84 34.50 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 4.27 -0.51 -3.69 5.55 6.02 0.16 -4.84 117.38 124.36 2dar n GLN 14 Ca 0.32 -2.26 -0.14 0.00 -0.01 0.00 0.00 57.00 54.91 2dar n GLN 14 Cb -0.05 -0.87 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 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 -5.20 0.70 -0.22 -1.09 0.52 -1.26 -2.62 118.95 109.78 2dar s ARG 15 Ca 0.64 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.06 2dar s ARG 15 Cb -0.03 0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 2dar s ARG 15 CO 0.44 -0.16 0.22 0.00 0.02 0.00 0.00 175.30 175.82 2dar s ALA 16 N -0.51 3.61 -0.08 2.13 0.00 -1.26 -4.74 121.76 120.90 2dar s ALA 16 Ca -0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 2dar s ALA 16 Cb -0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 2dar s ALA 16 CO 0.04 -0.16 1.44 -2.00 0.00 0.00 0.00 175.76 175.07 2dar s GLU 17 N 1.01 4.23 -0.19 0.00 2.12 -0.37 -4.77 118.70 120.72 2dar s GLU 17 Ca 0.11 1.93 -0.29 0.00 0.36 0.00 0.00 54.97 57.08 2dar s GLU 17 Cb -0.13 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 2dar s GLU 17 CO 0.04 -0.72 1.55 -1.01 -0.54 0.00 0.00 175.26 174.59 2dar s HIS 18 N 3.41 2.22 -0.18 5.30 3.76 -1.26 -2.61 115.29 125.93 2dar s HIS 18 Ca 0.64 0.57 -0.08 0.00 -0.15 0.00 0.00 55.06 56.04 2dar s HIS 18 Cb -0.28 -3.91 -0.04 0.00 1.11 0.00 0.00 32.58 29.45 2dar s HIS 18 CO 0.23 -2.84 0.07 0.42 -0.85 0.00 0.00 174.74 171.78 2dar s ILE 19 N 4.75 4.89 0.91 0.60 -1.09 -0.77 -5.03 121.20 125.46 2dar s ILE 19 Ca 0.69 0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.99 2dar s ILE 19 Cb -0.25 -3.20 0.14 0.00 -1.58 0.00 0.00 42.46 37.57 2dar s ILE 19 CO 0.27 0.47 1.09 -2.16 -1.23 0.00 0.00 174.94 173.39 2dar s PRO 20 N 0.24 1.12 0.55 2.79 0.04 -1.26 -2.77 135.00 135.71 2dar s PRO 20 Ca 0.05 0.78 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 2dar s PRO 20 Cb -0.12 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2dar s PRO 20 CO 0.00 -2.32 1.04 0.00 0.04 0.00 0.00 177.00 175.76 2dar s ALA 21 N -2.94 2.82 0.00 8.56 0.00 -1.26 -3.80 121.76 125.14 2dar s ALA 21 Ca 0.64 0.43 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2dar s ALA 21 Cb -0.18 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2dar s ALA 21 CO 0.57 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2dar n GLY 22 N -0.83 1.18 0.32 0.00 0.00 -1.24 -4.64 105.19 99.98 2dar n GLY 22 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 0.42 -2.82 1.61 3.11 -1.94 -3.41 116.57 113.54 2dar h LYS 23 Ca 0.00 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.68 2dar h LYS 23 Cb 0.00 -0.09 -0.25 0.00 -1.00 0.00 0.00 32.23 30.88 2dar h LYS 23 CO 0.00 0.28 -0.31 1.03 -2.81 0.00 0.00 179.45 177.64 2dar s ARG 24 N -5.85 0.40 -0.41 1.90 1.81 -1.26 -5.08 118.95 110.47 2dar s ARG 24 Ca -0.11 0.57 0.11 0.00 -1.72 0.00 0.00 55.73 54.57 2dar s ARG 24 Cb 0.26 0.13 0.36 0.00 -0.45 0.00 0.00 34.95 35.25 2dar s ARG 24 CO 0.78 -0.08 0.81 0.25 -0.68 0.00 0.00 175.30 176.38 2dar n THR 25 N 3.27 0.72 -0.93 0.02 -2.24 -1.26 -4.84 114.28 109.02 2dar n THR 25 Ca -0.16 -4.68 -0.24 0.00 -2.27 0.00 0.00 64.05 56.70 2dar n THR 25 Cb 0.57 -0.46 0.20 0.00 -2.10 0.00 0.00 70.33 68.54 2dar n THR 25 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dar n PRO 26 N 0.11 -2.71 -3.52 -0.78 -0.04 -1.26 -4.30 135.00 122.50 2dar n PRO 26 Ca 0.25 -1.39 -0.38 0.00 -0.04 0.00 0.00 63.50 61.95 2dar n PRO 26 Cb 0.62 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.68 2dar n PRO 26 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2dar s MET 27 N -4.97 4.06 1.08 0.54 -1.94 -1.26 -1.85 119.30 114.96 2dar s MET 27 Ca 0.56 -0.10 -0.19 0.00 -1.71 0.00 0.00 55.69 54.25 2dar s MET 27 Cb -0.06 -3.59 0.07 0.00 2.01 0.00 0.00 34.83 33.26 2dar s MET 27 CO 0.43 -0.09 -0.21 0.00 -0.01 0.00 0.00 175.02 175.14 2dar n ALA 29 N -4.29 1.66 0.12 0.00 0.00 -1.12 -3.63 120.51 113.24 2dar n ALA 29 Ca 0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 53.44 52.60 2dar n ALA 29 Cb 0.60 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.35 -0.32 0.00 0.00 -0.00 -1.94 -3.35 115.15 109.18 2dar h HIS 30 Ca -0.46 -0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 59.78 2dar h HIS 30 Cb 1.54 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 29.04 2dar h HIS 30 CO -0.02 -0.20 -0.67 0.00 -0.00 0.00 0.00 177.93 177.04 2dar n ASN 32 N -3.18 -3.61 -4.22 0.00 5.15 -1.24 -4.98 115.26 103.17 2dar n ASN 32 Ca 0.00 -0.54 -0.26 0.00 -0.60 0.00 0.00 54.58 53.18 2dar n ASN 32 Cb 0.76 -4.74 -0.15 0.00 -0.53 0.00 0.00 39.78 35.12 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 -5.63 1.57 -0.00 1.20 -0.21 -1.26 -4.67 119.66 110.65 2dar s GLN 33 Ca 0.21 -0.78 -0.38 0.00 0.02 0.00 0.00 55.36 54.43 2dar s GLN 33 Cb -0.09 -1.56 -0.17 0.00 1.00 0.00 0.00 33.01 32.19 2dar s GLN 33 CO 0.67 0.42 1.43 1.55 -2.12 0.00 0.00 175.29 177.24 2dar n VAL 34 N 2.37 0.07 -3.19 1.09 3.14 -1.26 -2.56 118.33 118.00 2dar n VAL 34 Ca -0.16 -0.01 -0.44 0.00 -2.96 0.00 0.00 64.34 60.77 2dar n VAL 34 Cb 0.53 -0.88 -0.06 0.00 -1.06 0.00 0.00 33.84 32.37 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 1.18 4.93 0.11 1.55 1.01 -0.77 -4.90 121.20 124.31 2dar s ILE 35 Ca 0.88 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 2dar s ILE 35 Cb -1.00 -4.34 -0.20 0.00 0.01 0.00 0.00 42.46 36.93 2dar s ILE 35 CO 0.52 -0.89 1.26 0.03 0.00 0.00 0.00 174.94 175.87 2dar h ARG 36 N 9.02 0.53 0.00 2.79 3.08 -1.90 -3.38 114.38 124.52 2dar h ARG 36 Ca -0.28 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.20 2dar h ARG 36 Cb 1.09 0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dar h ARG 36 CO 1.00 1.19 0.00 0.41 -1.07 0.00 0.00 179.97 181.50 2dar n GLY 37 N 0.99 0.33 3.69 0.04 0.00 -1.26 -3.70 105.19 105.27 2dar n GLY 37 Ca -0.08 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.12 4.27 0.55 1.61 0.04 -1.26 -4.61 135.00 133.48 2dar s PRO 38 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 2dar s PRO 38 Cb 0.00 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.99 2dar s PRO 38 CO 0.00 -0.61 0.44 -0.59 0.04 0.00 0.00 177.00 176.28 2dar s PHE 39 N 2.51 1.59 -0.16 0.56 -0.71 -1.11 -4.38 117.98 116.27 2dar s PHE 39 Ca 0.65 -0.84 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 2dar s PHE 39 Cb -0.32 -1.93 0.02 0.00 -1.21 0.00 0.00 43.02 39.57 2dar s PHE 39 CO 0.27 -0.54 -0.20 -0.51 -1.34 0.00 0.00 175.22 172.91 2dar s LEU 40 N -4.31 2.06 -0.33 -1.99 1.43 0.16 -1.85 118.68 113.84 2dar s LEU 40 Ca 0.36 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2dar s LEU 40 Cb -0.02 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.78 2dar s LEU 40 CO 0.22 0.02 0.15 0.54 0.23 0.00 0.00 176.35 177.51 2dar s VAL 41 N 1.18 4.39 0.01 -1.59 0.11 -1.07 -0.55 120.40 122.87 2dar s VAL 41 Ca 0.01 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2dar s VAL 41 Cb -0.14 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2dar s VAL 41 CO -0.09 -0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.63 2dar n ALA 42 N 4.95 3.00 -2.50 1.54 0.00 -1.15 -1.23 120.51 125.12 2dar n ALA 42 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 2dar n ALA 42 Cb 0.47 0.01 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 -2.56 6.02 -1.98 0.00 7.99 -1.26 -4.63 117.00 120.58 2dar n LEU 43 Ca 0.00 -4.45 0.00 0.00 -0.01 0.00 0.00 56.01 51.55 2dar n LEU 43 Cb 0.00 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 41.73 2dar n LEU 43 CO 0.00 1.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.49 2dar n GLY 44 N 3.65 -0.36 3.52 -0.72 0.00 -1.26 -4.78 105.19 105.23 2dar n GLY 44 Ca 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.82 1.45 -0.16 1.61 1.02 -1.26 -5.16 119.74 113.43 2dar s LYS 45 Ca 0.00 -1.25 -0.03 0.00 0.02 0.00 0.00 55.97 54.72 2dar s LYS 45 Cb 0.00 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.73 2dar s LYS 45 CO 0.00 -0.59 -0.06 -1.54 -0.92 0.00 0.00 175.35 172.24 2dar s SER 46 N -3.01 4.52 0.00 2.83 1.04 -1.26 -2.94 113.70 114.88 2dar s SER 46 Ca 0.22 -0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.50 2dar s SER 46 Cb 0.01 -1.73 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 2dar s SER 46 CO 0.07 0.15 -0.20 0.26 0.98 0.00 0.00 173.24 174.50 2dar s TRP 47 N 0.48 1.80 0.34 5.02 0.52 0.28 -2.80 118.94 124.58 2dar s TRP 47 Ca -0.05 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.43 2dar s TRP 47 Cb -0.15 -1.13 -0.11 0.00 -1.15 0.00 0.00 33.47 30.94 2dar s TRP 47 CO 0.03 0.01 1.42 -1.01 0.02 0.00 0.00 176.95 177.42 2dar s HIS 48 N -0.58 2.83 -1.60 -1.98 3.76 -1.26 -0.67 115.29 115.80 2dar s HIS 48 Ca 0.08 1.21 0.15 0.00 -0.15 0.00 0.00 55.06 56.35 2dar s HIS 48 Cb -0.08 -3.87 0.80 0.00 1.11 0.00 0.00 32.58 30.54 2dar s HIS 48 CO 0.00 -2.56 1.39 -0.35 -0.85 0.00 0.00 174.74 172.37 2dar n PRO 49 N 0.98 0.29 -0.11 8.40 -0.04 -1.26 -0.80 135.00 142.46 2dar n PRO 49 Ca 0.02 0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 2dar n PRO 49 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 2dar n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dar n GLU 50 N -1.20 0.61 0.02 0.54 1.02 -1.26 -4.64 120.64 115.73 2dar n GLU 50 Ca 0.08 0.13 -0.21 0.00 -0.02 0.00 0.00 57.16 57.14 2dar n GLU 50 Cb 0.10 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 2dar n GLU 50 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dar h GLU 51 N 0.00 0.26 -5.10 3.49 5.08 -1.91 -3.44 114.58 112.96 2dar h GLU 51 Ca -0.52 -0.45 -0.38 0.00 -1.00 0.00 0.00 59.36 57.01 2dar h GLU 51 Cb 1.82 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 31.16 2dar h GLU 51 CO -0.07 1.21 1.67 0.34 -1.00 0.00 0.00 179.01 181.16 2dar n PHE 52 N -4.03 0.48 -4.23 4.33 7.35 0.02 -4.84 117.46 116.55 2dar n PHE 52 Ca -0.20 0.15 -0.13 0.00 -0.76 0.00 0.00 57.45 56.51 2dar n PHE 52 Cb 0.86 -1.66 -0.10 0.00 0.35 0.00 0.00 39.48 38.93 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 5.85 1.14 1.38 -2.13 0.01 -1.26 -2.99 114.94 116.94 2dar s ASN 53 Ca 1.26 -1.15 -0.21 0.00 -0.71 0.00 0.00 52.86 52.05 2dar s ASN 53 Cb -0.86 0.13 0.35 0.00 0.41 0.00 0.00 41.25 41.28 2dar s ASN 53 CO 0.46 -0.57 0.95 0.00 -1.51 0.00 0.00 177.10 176.43 2dar n ALA 55 N -5.51 1.83 -0.07 0.00 0.00 -1.20 -3.72 120.51 111.85 2dar n ALA 55 Ca 0.10 -1.08 -0.08 0.00 0.00 0.00 0.00 53.44 52.39 2dar n ALA 55 Cb 0.59 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.59 0.00 1.30 0.00 -0.00 -1.26 -4.56 115.22 108.11 2dar n HIS 56 Ca -0.24 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.62 2dar n HIS 56 Cb 0.98 -0.44 0.68 0.00 -0.00 0.00 0.00 29.99 31.21 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 -1.31 -0.92 -4.25 0.00 4.76 -1.24 -4.87 118.16 110.34 2dar n LYS 58 Ca 0.12 0.09 -0.24 0.00 -2.87 0.00 0.00 58.31 55.41 2dar n LYS 58 Cb 0.28 -3.45 -0.07 0.00 -1.84 0.00 0.00 35.03 29.94 2dar n LYS 58 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dar s ASN 59 N -4.12 4.71 -0.02 4.39 0.01 -1.26 -4.59 114.94 114.05 2dar s ASN 59 Ca 0.10 -0.52 -0.35 0.00 -0.71 0.00 0.00 52.86 51.38 2dar s ASN 59 Cb -0.06 -0.95 -0.13 0.00 0.41 0.00 0.00 41.25 40.51 2dar s ASN 59 CO 0.93 0.03 1.74 1.07 -1.51 0.00 0.00 177.10 179.35 2dar n THR 60 N -0.66 0.33 -1.91 1.60 5.66 -1.26 -1.32 114.28 116.73 2dar n THR 60 Ca -0.08 -0.06 -0.29 0.00 -3.05 0.00 0.00 64.05 60.57 2dar n THR 60 Cb 0.58 -1.63 0.03 0.00 -1.55 0.00 0.00 70.33 67.76 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 5.22 3.25 -0.04 1.09 2.81 -1.16 -4.75 117.12 123.54 2dar n MET 61 Ca 0.21 -3.93 -0.02 0.00 -1.81 0.00 0.00 57.70 52.15 2dar n MET 61 Cb 0.27 -2.28 -0.01 0.00 -0.71 0.00 0.00 33.22 30.50 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 2.29 0.00 0.44 3.04 0.00 -1.90 -3.43 119.26 119.70 2dar h ALA 62 Ca 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dar h ALA 62 Cb 1.08 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dar h ALA 62 CO 1.07 0.19 -0.21 1.88 0.00 0.00 0.00 179.25 182.18 2dar h TYR 63 N -0.67 -0.55 -3.36 0.00 0.05 -1.96 -3.44 116.97 107.04 2dar h TYR 63 Ca 0.00 -0.01 -0.44 0.00 0.05 0.00 0.00 58.73 58.32 2dar h TYR 63 Cb 0.19 0.18 0.21 0.00 1.01 0.00 0.00 36.73 38.32 2dar h TYR 63 CO -0.08 -0.34 0.03 0.96 -1.05 0.00 0.00 178.16 177.68 2dar s ILE 64 N -3.62 2.03 0.47 -2.88 -5.25 -1.26 -4.99 121.20 105.69 2dar s ILE 64 Ca -0.09 0.01 0.08 0.00 -0.99 0.00 0.00 60.65 59.67 2dar s ILE 64 Cb 0.01 -2.09 0.03 0.00 2.95 0.00 0.00 42.46 43.36 2dar s ILE 64 CO 0.26 -0.01 0.63 -0.83 -1.79 0.00 0.00 174.94 173.20 2dar s GLY 65 N -2.58 1.89 0.31 6.27 0.00 -1.26 -4.86 107.32 107.09 2dar s GLY 65 Ca 0.68 -1.82 0.04 0.00 0.00 0.00 0.00 44.72 43.62 2dar s GLY 65 CO 0.64 -1.56 0.29 -0.11 0.00 0.00 0.00 173.10 172.36 2dar s PHE 66 N -2.46 1.54 -0.03 1.90 -0.12 -1.08 -1.81 117.98 115.93 2dar s PHE 66 Ca 0.57 -1.55 -0.00 0.00 -0.05 0.00 0.00 56.93 55.89 2dar s PHE 66 Cb -0.08 -0.58 0.03 0.00 -0.63 0.00 0.00 43.02 41.76 2dar s PHE 66 CO 0.35 -0.89 0.01 0.08 -0.05 0.00 0.00 175.22 174.72 2dar s VAL 67 N -3.48 0.14 -0.21 -2.49 1.01 1.00 0.40 120.40 116.77 2dar s VAL 67 Ca 0.39 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 2dar s VAL 67 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 2dar s VAL 67 CO 0.24 0.15 0.74 -0.70 0.00 0.00 0.00 175.10 175.54 2dar s GLU 68 N 1.22 4.21 -0.17 2.72 2.12 -1.25 -1.27 118.70 126.29 2dar s GLU 68 Ca -0.07 0.81 -0.02 0.00 0.36 0.00 0.00 54.97 56.05 2dar s GLU 68 Cb -0.13 -3.61 0.05 0.00 0.26 0.00 0.00 34.13 30.70 2dar s GLU 68 CO -0.02 -0.37 0.00 -2.00 -0.54 0.00 0.00 175.26 172.33 2dar s GLU 69 N 2.33 0.89 -1.83 4.30 2.12 0.15 -4.84 118.70 121.82 2dar s GLU 69 Ca 0.33 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 55.03 2dar s GLU 69 Cb -0.16 -1.94 0.22 0.00 0.26 0.00 0.00 34.13 32.51 2dar s GLU 69 CO 0.10 -0.54 0.62 1.63 -0.54 0.00 0.00 175.26 176.53 2dar n LYS 70 N 5.00 -1.15 -1.72 4.30 4.76 -1.26 -0.74 118.16 127.35 2dar n LYS 70 Ca -0.10 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2dar n LYS 70 Cb 0.47 -4.78 0.00 0.00 -1.84 0.00 0.00 35.03 28.88 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 -1.10 0.65 3.33 0.72 0.00 -1.26 -5.09 105.19 102.44 2dar n GLY 71 Ca 0.11 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.65 -1.27 -0.26 4.61 0.00 0.08 -5.14 121.76 117.13 2dar s ALA 72 Ca 0.00 1.65 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 2dar s ALA 72 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2dar s ALA 72 CO 0.00 -0.65 0.26 -0.51 0.00 0.00 0.00 175.76 174.86 2dar s LEU 73 N 2.34 4.07 -0.09 0.00 1.43 -1.25 0.29 118.68 125.47 2dar s LEU 73 Ca -0.04 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2dar s LEU 73 Cb -0.11 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2dar s LEU 73 CO -0.14 -0.06 -0.15 -0.31 0.23 0.00 0.00 176.35 175.93 2dar s TYR 74 N 1.60 1.80 0.57 0.29 2.02 -0.40 -3.24 117.35 120.01 2dar s TYR 74 Ca 0.11 -0.77 -0.21 0.00 -0.37 0.00 0.00 57.07 55.83 2dar s TYR 74 Cb -0.15 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 2dar s TYR 74 CO 0.09 -0.39 1.33 0.00 -1.57 0.00 0.00 175.55 175.00 2dar h GLU 76 N 1.23 0.00 0.09 0.00 9.09 -1.68 0.32 114.58 123.63 2dar h GLU 76 Ca -0.51 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.90 2dar h GLU 76 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 2dar h GLU 76 CO 0.56 0.00 -0.04 -0.07 0.05 0.00 0.00 179.01 179.51 2dar h LEU 77 N 0.00 -0.10 0.12 3.06 3.38 -1.87 -2.54 115.31 117.36 2dar h LEU 77 Ca 0.41 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dar h LEU 77 Cb 2.29 0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.07 2dar h LEU 77 CO -0.00 0.36 -0.06 0.00 0.09 0.00 0.00 178.44 178.83 2dar h TYR 79 N -0.28 -0.96 -0.87 0.00 5.03 -1.44 0.27 116.97 118.72 2dar h TYR 79 Ca -0.02 0.03 0.24 0.00 2.58 0.00 0.00 58.73 61.57 2dar h TYR 79 Cb 0.23 0.42 -0.04 0.00 1.55 0.00 0.00 36.73 38.89 2dar h TYR 79 CO -0.03 -0.34 0.62 1.49 -1.32 0.00 0.00 178.16 178.57 2dar h GLU 80 N -0.39 0.05 -0.14 1.82 4.81 -1.49 2.06 114.58 121.30 2dar h GLU 80 Ca 0.01 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2dar h GLU 80 Cb 0.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2dar h GLU 80 CO -0.23 0.04 -0.27 0.87 -0.73 0.00 0.00 179.01 178.69 2dar h LYS 81 N 0.06 0.43 0.00 1.92 1.57 -0.20 -2.93 116.57 117.41 2dar h LYS 81 Ca 0.42 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2dar h LYS 81 Cb 1.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2dar h LYS 81 CO -0.03 0.87 -0.49 1.19 -0.57 0.00 0.00 179.45 180.42 2dar n PHE 82 N -4.43 0.53 0.24 -1.35 3.72 0.73 -4.25 117.46 112.66 2dar n PHE 82 Ca -0.07 0.23 -0.14 0.00 -0.05 0.00 0.00 57.45 57.43 2dar n PHE 82 Cb 0.45 -0.58 -0.07 0.00 -0.94 0.00 0.00 39.48 38.33 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 -0.77 -1.04 0.00 1.38 -1.00 0.30 -2.88 116.94 112.93 2dar h PHE 83 Ca 0.00 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.42 2dar h PHE 83 Cb 0.49 0.40 -0.03 0.00 3.61 0.00 0.00 35.95 40.42 2dar h PHE 83 CO -0.21 -0.51 1.31 0.00 -1.61 0.00 0.00 178.31 177.28 2dar n ALA 84 N -2.65 6.57 -2.57 2.45 0.00 -0.97 -4.87 120.51 118.48 2dar n ALA 84 Ca -0.09 -2.39 -0.25 0.00 0.00 0.00 0.00 53.44 50.70 2dar n ALA 84 Cb 0.35 -2.73 -0.09 0.00 0.00 0.00 0.00 19.45 16.98 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 2.16 4.18 0.00 0.00 0.15 -1.09 -4.60 113.70 114.51 2dar s SER 85 Ca 0.65 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dar s SER 85 Cb 0.25 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2dar s SER 85 CO -0.02 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2dar n GLY 86 N -0.31 1.53 3.56 9.45 0.00 -1.26 -4.97 105.19 113.20 2dar n GLY 86 Ca -0.09 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 2.55 -0.12 1.61 0.04 -1.26 -4.89 135.00 132.92 2dar s PRO 87 Ca 0.00 -0.43 -0.10 0.00 0.04 0.00 0.00 61.00 60.51 2dar s PRO 87 Cb 0.00 -5.09 0.04 0.00 0.04 0.00 0.00 34.50 29.48 2dar s PRO 87 CO 0.00 -3.47 0.32 0.45 0.04 0.00 0.00 177.00 174.34 2dar s SER 88 N 7.78 -0.35 -1.11 6.66 0.15 -1.26 -5.09 113.70 120.48 2dar s SER 88 Ca 0.70 0.66 -0.15 0.00 0.70 0.00 0.00 55.95 57.85 2dar s SER 88 Cb -0.06 0.63 0.16 0.00 -1.71 0.00 0.00 66.02 65.05 2dar s SER 88 CO 0.01 -0.13 1.31 -0.44 1.20 0.00 0.00 173.24 175.19 2dar s SER 89 N 0.47 6.94 0.00 5.45 0.01 -1.26 -5.24 113.70 120.07 2dar s SER 89 Ca -0.02 -2.72 0.00 0.00 1.31 0.00 0.00 55.95 54.51 2dar s SER 89 Cb -0.04 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2dar s SER 89 CO -0.02 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.42