#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 -0.29 -0.07 1.61 0.15 -1.26 -5.16 113.70 108.68 2dar s SER 2 Ca 0.00 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.97 2dar s SER 2 Cb 0.00 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 2dar s SER 2 CO 0.00 -0.26 0.33 -0.55 1.20 0.00 0.00 173.24 173.96 2dar s SER 3 N -0.44 6.63 0.00 5.45 0.15 -1.26 -5.07 113.70 119.17 2dar s SER 3 Ca -0.06 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2dar s SER 3 Cb -0.04 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2dar s SER 3 CO 0.02 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2dar n GLY 4 N 2.29 3.43 3.71 9.45 0.00 -1.26 -5.19 105.19 117.63 2dar n GLY 4 Ca -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 2dar n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dar s SER 5 N -0.14 -0.12 -0.10 1.61 0.15 -1.26 -5.18 113.70 108.65 2dar s SER 5 Ca 0.00 -0.31 -0.23 0.00 0.70 0.00 0.00 55.95 56.11 2dar s SER 5 Cb 0.00 0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2dar s SER 5 CO 0.00 -0.67 0.56 -0.55 1.20 0.00 0.00 173.24 173.78 2dar s SER 6 N -2.98 -0.53 -0.03 5.45 0.15 -1.26 -5.08 113.70 109.41 2dar s SER 6 Ca 0.13 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.33 2dar s SER 6 Cb 0.01 0.71 -0.10 0.00 -1.71 0.00 0.00 66.02 64.92 2dar s SER 6 CO 0.00 -0.43 0.74 1.23 1.20 0.00 0.00 173.24 175.98 2dar h GLY 7 N 3.96 -0.55 -0.98 9.45 0.00 -2.10 -3.46 103.07 109.40 2dar h GLY 7 Ca -0.28 0.20 -0.46 0.00 0.00 0.00 0.00 47.33 46.80 2dar h GLY 7 CO 0.31 -0.20 0.18 0.99 0.00 0.00 0.00 176.54 177.82 2dar s ASP 8 N -4.97 2.58 0.34 0.19 1.01 -1.26 -5.08 116.67 109.48 2dar s ASP 8 Ca -0.10 1.33 0.03 0.00 0.71 0.00 0.00 52.55 54.53 2dar s ASP 8 Cb 0.01 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 2dar s ASP 8 CO 0.31 -3.18 0.12 0.00 0.21 0.00 0.00 175.17 172.63 2dar s GLN 9 N -4.88 1.69 0.31 8.23 -2.07 -1.26 -5.18 119.66 116.50 2dar s GLN 9 Ca 0.65 -1.97 0.04 0.00 -1.82 0.00 0.00 55.36 52.26 2dar s GLN 9 Cb -0.19 -0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 31.20 2dar s GLN 9 CO 0.58 -0.37 0.05 0.34 -1.32 0.00 0.00 175.29 174.57 2dar s ASP 10 N -3.46 2.25 0.47 12.60 2.15 -1.26 -5.14 116.67 124.27 2dar s ASP 10 Ca 0.32 -1.36 -0.21 0.00 0.43 0.00 0.00 52.55 51.74 2dar s ASP 10 Cb 0.06 -0.06 -0.09 0.00 -0.30 0.00 0.00 42.92 42.53 2dar s ASP 10 CO 0.16 -0.60 1.04 -0.89 -0.17 0.00 0.00 175.17 174.71 2dar s THR 11 N -3.33 3.78 0.56 1.71 2.01 -1.26 -4.90 115.64 114.21 2dar s THR 11 Ca 0.36 1.16 0.35 0.00 0.31 0.00 0.00 61.69 63.87 2dar s THR 11 Cb 0.08 -3.50 0.52 0.00 0.01 0.00 0.00 72.50 69.61 2dar s THR 11 CO 0.15 -0.19 1.78 -0.07 -0.69 0.00 0.00 174.62 175.60 2dar h LEU 12 N 1.76 0.00 -7.83 4.42 4.07 -2.01 -3.42 115.31 112.30 2dar h LEU 12 Ca -0.49 0.00 -0.75 0.00 0.08 0.00 0.00 57.88 56.72 2dar h LEU 12 Cb 1.22 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.98 2dar h LEU 12 CO 0.60 0.00 0.47 0.52 -1.08 0.00 0.00 178.44 178.95 2dar n VAL 13 N -4.04 0.00 -4.62 1.22 0.31 -1.26 -4.76 118.33 105.19 2dar n VAL 13 Ca 0.23 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.27 2dar n VAL 13 Cb 1.18 -0.33 -0.10 0.00 -0.91 0.00 0.00 33.84 33.68 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 2.01 2.05 -0.06 5.55 -0.21 0.77 -4.83 119.66 124.93 2dar s GLN 14 Ca 0.89 -2.18 -0.01 0.00 0.02 0.00 0.00 55.36 54.08 2dar s GLN 14 Cb -1.26 -1.63 0.03 0.00 1.00 0.00 0.00 33.01 31.14 2dar s GLN 14 CO 0.66 -0.15 -0.00 1.03 -2.12 0.00 0.00 175.29 174.71 2dar s ARG 15 N -3.78 0.58 0.25 2.91 0.52 -1.26 -1.87 118.95 116.30 2dar s ARG 15 Ca 0.27 0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.27 2dar s ARG 15 Cb 0.07 -0.88 -0.10 0.00 0.52 0.00 0.00 34.95 34.56 2dar s ARG 15 CO 0.14 -0.26 1.35 0.00 0.02 0.00 0.00 175.30 176.55 2dar s ALA 16 N 1.73 3.55 -0.27 2.13 0.00 -1.26 -4.94 121.76 122.70 2dar s ALA 16 Ca 0.01 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 2dar s ALA 16 Cb -0.13 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2dar s ALA 16 CO -0.04 -0.62 1.48 -2.00 0.00 0.00 0.00 175.76 174.59 2dar s GLU 17 N -0.58 3.81 -0.42 0.00 2.56 -1.23 -4.88 118.70 117.95 2dar s GLU 17 Ca 0.56 1.43 -0.28 0.00 0.00 0.00 0.00 54.97 56.68 2dar s GLU 17 Cb -0.39 -3.98 -0.03 0.00 2.00 0.00 0.00 34.13 31.74 2dar s GLU 17 CO 0.43 -1.27 1.91 -1.01 -0.56 0.00 0.00 175.26 174.76 2dar s HIS 18 N 4.96 1.64 -0.23 5.30 3.76 -1.26 -3.46 115.29 126.00 2dar s HIS 18 Ca 0.65 0.77 -0.14 0.00 -0.15 0.00 0.00 55.06 56.19 2dar s HIS 18 Cb -0.21 -4.04 -0.04 0.00 1.11 0.00 0.00 32.58 29.40 2dar s HIS 18 CO 0.27 -2.80 0.32 0.42 -0.85 0.00 0.00 174.74 172.11 2dar s ILE 19 N 8.20 5.24 0.88 0.60 -1.09 -0.62 -5.00 121.20 129.41 2dar s ILE 19 Ca 0.80 0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 59.62 2dar s ILE 19 Cb -0.20 -3.66 0.12 0.00 -1.58 0.00 0.00 42.46 37.15 2dar s ILE 19 CO 0.29 0.25 1.09 -2.16 -1.23 0.00 0.00 174.94 173.19 2dar s PRO 20 N 1.45 1.35 0.60 2.79 0.04 -1.26 -1.39 135.00 138.58 2dar s PRO 20 Ca 0.15 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 2dar s PRO 20 Cb -0.15 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2dar s PRO 20 CO 0.08 -2.19 1.21 0.00 0.04 0.00 0.00 177.00 176.14 2dar s ALA 21 N -2.93 2.53 0.00 8.56 0.00 -1.26 -3.46 121.76 125.20 2dar s ALA 21 Ca 0.63 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2dar s ALA 21 Cb -0.18 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2dar s ALA 21 CO 0.57 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2dar n GLY 22 N 0.48 1.22 0.37 0.00 0.00 -1.13 -4.62 105.19 101.50 2dar n GLY 22 Ca 0.14 -0.01 0.33 0.00 0.00 0.00 0.00 46.02 46.47 2dar n GLY 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dar n LYS 23 N 0.00 -0.04 -3.62 1.61 3.00 -1.22 -4.40 118.16 113.49 2dar n LYS 23 Ca 0.00 1.13 -0.14 0.00 -0.00 0.00 0.00 58.31 59.29 2dar n LYS 23 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 35.03 32.81 2dar n LYS 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2dar s ARG 24 N -5.13 0.85 -0.43 1.64 0.52 -1.26 -5.07 118.95 110.08 2dar s ARG 24 Ca -0.07 0.86 0.10 0.00 -0.52 0.00 0.00 55.73 56.10 2dar s ARG 24 Cb 0.28 0.41 0.33 0.00 0.52 0.00 0.00 34.95 36.49 2dar s ARG 24 CO 0.70 -0.13 0.76 0.25 0.02 0.00 0.00 175.30 176.90 2dar n THR 25 N 2.44 0.58 -0.56 0.02 -2.24 -1.26 -4.84 114.28 108.42 2dar n THR 25 Ca -0.15 -4.77 -0.04 0.00 -2.27 0.00 0.00 64.05 56.82 2dar n THR 25 Cb 0.55 -0.74 0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.30 -1.28 -3.91 -0.78 -0.04 -1.26 -4.32 135.00 123.71 2dar n PRO 26 Ca 0.26 -0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 63.16 2dar n PRO 26 Cb 0.58 -0.20 -0.13 0.00 -0.04 0.00 0.00 33.50 33.71 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 -3.30 3.57 1.03 0.54 -1.94 -1.26 -1.92 119.30 116.03 2dar s MET 27 Ca 0.08 -0.53 -0.19 0.00 -1.71 0.00 0.00 55.69 53.34 2dar s MET 27 Cb -0.01 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.66 2dar s MET 27 CO 0.07 -0.12 -0.38 0.00 -0.01 0.00 0.00 175.02 174.58 2dar n ALA 29 N -3.71 1.56 -0.00 0.00 0.00 -0.81 -3.62 120.51 113.93 2dar n ALA 29 Ca 0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 53.44 52.47 2dar n ALA 29 Cb 0.62 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.03 0.00 0.00 -0.00 -1.93 -3.38 115.15 109.81 2dar h HIS 30 Ca -0.47 -0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.73 2dar h HIS 30 Cb 1.84 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 29.24 2dar h HIS 30 CO 0.02 -0.02 -0.83 0.00 -0.00 0.00 0.00 177.93 177.10 2dar n ASN 32 N -3.49 -2.16 -4.15 0.00 3.02 -1.24 -5.00 115.26 102.25 2dar n ASN 32 Ca -0.00 -0.39 -0.24 0.00 -0.03 0.00 0.00 54.58 53.92 2dar n ASN 32 Cb 0.81 -3.40 -0.15 0.00 -0.61 0.00 0.00 39.78 36.43 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2dar s GLN 33 N -4.90 1.33 0.20 3.52 -1.52 -1.26 -4.74 119.66 112.30 2dar s GLN 33 Ca 0.02 -0.59 -0.31 0.00 -1.95 0.00 0.00 55.36 52.53 2dar s GLN 33 Cb -0.01 -1.29 -0.15 0.00 -0.22 0.00 0.00 33.01 31.34 2dar s GLN 33 CO 0.46 0.35 1.10 1.55 -0.25 0.00 0.00 175.29 178.50 2dar n VAL 34 N 2.69 1.22 -3.80 1.09 3.14 -1.26 -2.72 118.33 118.69 2dar n VAL 34 Ca -0.15 -0.30 -0.36 0.00 -2.96 0.00 0.00 64.34 60.57 2dar n VAL 34 Cb 0.54 -0.86 -0.12 0.00 -1.06 0.00 0.00 33.84 32.35 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 -0.44 4.56 -0.18 1.55 1.01 -0.81 -4.92 121.20 121.97 2dar s ILE 35 Ca 0.69 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 2dar s ILE 35 Cb -0.81 -3.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.42 2dar s ILE 35 CO 0.54 0.35 0.01 0.54 0.00 0.00 0.00 174.94 176.39 2dar n ARG 36 N 4.64 0.52 0.00 2.79 1.74 -1.26 -4.17 116.66 120.92 2dar n ARG 36 Ca -0.16 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2dar n ARG 36 Cb 0.52 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.50 -0.75 3.77 -0.13 0.00 -1.26 -2.85 105.19 105.47 2dar n GLY 37 Ca -0.22 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 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 3.83 0.24 1.61 0.04 -1.26 -4.31 135.00 135.15 2dar s PRO 38 Ca 0.00 1.80 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2dar s PRO 38 Cb 0.00 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2dar s PRO 38 CO 0.00 -0.50 0.21 1.97 0.04 0.00 0.00 177.00 178.71 2dar n PHE 39 N -0.35 -0.58 -3.99 0.56 1.16 -0.48 -4.60 117.46 109.18 2dar n PHE 39 Ca 0.07 -2.04 -0.28 0.00 -1.87 0.00 0.00 57.45 53.33 2dar n PHE 39 Cb 0.48 0.21 -0.17 0.00 -1.61 0.00 0.00 39.48 38.39 2dar n PHE 39 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2dar s LEU 40 N 0.00 1.40 -0.40 5.98 1.43 -1.01 -1.59 118.68 124.49 2dar s LEU 40 Ca 0.29 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2dar s LEU 40 Cb 0.01 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.27 2dar s LEU 40 CO 0.21 -0.09 0.34 0.54 0.23 0.00 0.00 176.35 177.58 2dar s VAL 41 N 1.57 5.20 0.01 -1.59 0.11 -1.22 -0.63 120.40 123.85 2dar s VAL 41 Ca 0.04 -0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 2dar s VAL 41 Cb -0.13 -3.93 -0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2dar s VAL 41 CO -0.09 -0.29 0.02 0.00 -3.33 0.00 0.00 175.10 171.42 2dar s ALA 42 N 1.85 -0.02 -1.88 1.54 0.00 0.34 -3.53 121.76 120.06 2dar s ALA 42 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2dar s ALA 42 Cb -0.18 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2dar s ALA 42 CO 0.11 -0.16 0.00 1.28 0.00 0.00 0.00 175.76 176.99 2dar n LEU 43 N 1.69 -1.66 0.00 0.00 7.99 -1.26 -1.46 117.00 122.30 2dar n LEU 43 Ca -0.23 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 2dar n LEU 43 Cb 0.56 -2.76 0.00 0.00 -0.11 0.00 0.00 43.42 41.11 2dar n LEU 43 CO 0.21 -0.61 0.00 0.61 -1.51 0.00 0.00 177.39 176.08 2dar n GLY 44 N -0.79 3.01 3.88 -0.72 0.00 -1.26 -5.00 105.19 104.31 2dar n GLY 44 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.26 2.32 0.35 1.61 1.02 -0.54 -5.10 119.74 119.15 2dar s LYS 45 Ca 0.00 -1.86 0.09 0.00 0.02 0.00 0.00 55.97 54.22 2dar s LYS 45 Cb 0.00 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 2dar s LYS 45 CO 0.00 -0.47 -0.02 -1.12 -0.92 0.00 0.00 175.35 172.82 2dar s SER 46 N -4.22 4.01 0.18 2.83 0.01 -1.26 0.13 113.70 115.38 2dar s SER 46 Ca 0.40 -1.08 -0.10 0.00 1.31 0.00 0.00 55.95 56.47 2dar s SER 46 Cb -0.02 -0.46 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 2dar s SER 46 CO 0.24 -0.24 0.32 0.26 0.41 0.00 0.00 173.24 174.23 2dar s TRP 47 N -2.56 0.38 0.04 2.43 0.52 0.19 -1.92 118.94 118.03 2dar s TRP 47 Ca 0.34 -0.74 -0.25 0.00 0.02 0.00 0.00 56.10 55.47 2dar s TRP 47 Cb 0.01 -0.01 -0.05 0.00 -1.15 0.00 0.00 33.47 32.27 2dar s TRP 47 CO 0.18 -0.77 0.78 -1.01 0.02 0.00 0.00 176.95 176.15 2dar s HIS 48 N -3.98 3.73 -2.00 -1.98 3.76 -1.26 -2.40 115.29 111.17 2dar s HIS 48 Ca 0.18 1.49 0.14 0.00 -0.15 0.00 0.00 55.06 56.72 2dar s HIS 48 Cb 0.03 -2.84 0.82 0.00 1.11 0.00 0.00 32.58 31.70 2dar s HIS 48 CO 0.02 0.26 1.24 -0.35 -0.85 0.00 0.00 174.74 175.06 2dar n PRO 49 N 2.84 0.49 -0.07 8.40 -0.04 -1.26 -0.53 135.00 144.83 2dar n PRO 49 Ca -0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2dar n PRO 49 Cb 0.50 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.94 1.55 -0.08 0.54 1.02 -1.26 -4.67 120.64 116.80 2dar n GLU 50 Ca 0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.05 2dar n GLU 50 Cb 0.05 -1.37 -0.13 0.00 -0.02 0.00 0.00 31.44 29.97 2dar n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dar n GLU 51 N -2.58 0.69 -1.37 3.49 1.02 -1.00 -4.91 120.64 115.98 2dar n GLU 51 Ca -0.24 0.20 -0.51 0.00 -0.02 0.00 0.00 57.16 56.59 2dar n GLU 51 Cb 0.95 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.66 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 -3.39 0.97 -4.01 -0.32 7.35 0.31 -4.88 117.46 113.49 2dar n PHE 52 Ca -0.41 0.56 -0.08 0.00 -0.76 0.00 0.00 57.45 56.76 2dar n PHE 52 Cb 1.00 -2.36 -0.10 0.00 0.35 0.00 0.00 39.48 38.38 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 7.48 0.34 1.40 -2.13 0.01 -1.26 -2.98 114.94 117.80 2dar s ASN 53 Ca 1.25 -0.78 -0.22 0.00 -0.71 0.00 0.00 52.86 52.40 2dar s ASN 53 Cb -1.31 0.21 0.35 0.00 0.41 0.00 0.00 41.25 40.91 2dar s ASN 53 CO 0.57 -0.56 0.84 0.00 -1.51 0.00 0.00 177.10 176.44 2dar n ALA 55 N -5.61 2.04 -0.04 0.00 0.00 -1.20 -3.87 120.51 111.83 2dar n ALA 55 Ca 0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 53.44 52.56 2dar n ALA 55 Cb 0.57 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.50 0.00 1.67 0.00 -0.00 -1.26 -4.60 115.22 108.52 2dar n HIS 56 Ca -0.20 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.67 2dar n HIS 56 Cb 0.88 -0.30 0.83 0.00 -0.00 0.00 0.00 29.99 31.40 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 -1.14 -0.91 -4.06 0.00 4.76 -1.25 -4.85 118.16 110.72 2dar n LYS 58 Ca 0.19 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.49 2dar n LYS 58 Cb 0.17 -3.24 -0.05 0.00 -1.84 0.00 0.00 35.03 30.07 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 -3.88 5.29 0.06 4.39 0.02 -1.26 -4.55 114.94 115.00 2dar s ASN 59 Ca 0.16 -0.40 -0.30 0.00 -1.02 0.00 0.00 52.86 51.30 2dar s ASN 59 Cb -0.09 -1.18 -0.09 0.00 0.02 0.00 0.00 41.25 39.90 2dar s ASN 59 CO 0.85 -0.13 1.94 1.07 0.02 0.00 0.00 177.10 180.85 2dar n THR 60 N -1.19 0.67 -1.57 1.60 5.66 -1.26 -0.32 114.28 117.86 2dar n THR 60 Ca -0.06 -0.12 -0.30 0.00 -3.05 0.00 0.00 64.05 60.52 2dar n THR 60 Cb 0.59 -2.27 0.06 0.00 -1.55 0.00 0.00 70.33 67.16 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 7.04 2.98 -0.09 1.09 2.81 -1.16 -4.62 117.12 125.17 2dar n MET 61 Ca 0.20 -3.58 -0.16 0.00 -1.81 0.00 0.00 57.70 52.34 2dar n MET 61 Cb 0.40 -2.27 -0.10 0.00 -0.71 0.00 0.00 33.22 30.54 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 2.01 0.15 0.00 3.04 0.00 -1.90 -3.44 119.26 119.13 2dar h ALA 62 Ca 0.52 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2dar h ALA 62 Cb 1.13 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2dar h ALA 62 CO 1.27 0.44 -0.15 1.88 0.00 0.00 0.00 179.25 182.70 2dar h TYR 63 N -1.00 0.00 -2.08 0.00 0.05 -1.96 -3.43 116.97 108.54 2dar h TYR 63 Ca -0.19 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.14 2dar h TYR 63 Cb 1.05 0.00 0.24 0.00 1.01 0.00 0.00 36.73 39.03 2dar h TYR 63 CO 0.11 0.00 -1.31 0.44 -1.05 0.00 0.00 178.16 176.35 2dar n ILE 64 N -3.46 0.00 -1.41 -2.88 -5.35 -1.26 -4.89 119.36 100.12 2dar n ILE 64 Ca -0.02 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2dar n ILE 64 Cb 0.08 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 2.27 0.03 3.53 3.28 0.00 -1.26 -4.79 105.19 108.25 2dar n GLY 65 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 0.02 -0.31 -0.05 1.61 -0.12 -0.78 -3.76 117.98 114.58 2dar s PHE 66 Ca 0.00 0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.13 2dar s PHE 66 Cb 0.00 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 2dar s PHE 66 CO 0.00 -0.45 -0.03 0.08 -0.05 0.00 0.00 175.22 174.77 2dar s VAL 67 N -2.70 0.45 -0.07 -2.49 1.01 0.11 -0.16 120.40 116.55 2dar s VAL 67 Ca 0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2dar s VAL 67 Cb -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2dar s VAL 67 CO -0.07 0.22 0.68 -0.70 0.00 0.00 0.00 175.10 175.23 2dar s GLU 68 N 1.17 4.43 -0.20 2.72 2.12 -1.26 -1.39 118.70 126.29 2dar s GLU 68 Ca -0.07 0.84 -0.09 0.00 0.36 0.00 0.00 54.97 56.01 2dar s GLU 68 Cb -0.14 -3.44 0.08 0.00 0.26 0.00 0.00 34.13 30.89 2dar s GLU 68 CO -0.01 0.09 0.45 -2.00 -0.54 0.00 0.00 175.26 173.24 2dar s GLU 69 N 0.72 0.39 -1.58 4.30 2.56 0.10 -4.92 118.70 120.27 2dar s GLU 69 Ca 0.36 0.99 -0.12 0.00 0.00 0.00 0.00 54.97 56.20 2dar s GLU 69 Cb -0.18 0.23 0.10 0.00 2.00 0.00 0.00 34.13 36.28 2dar s GLU 69 CO 0.17 -0.21 0.69 1.63 -0.56 0.00 0.00 175.26 176.99 2dar n LYS 70 N 4.92 -3.53 -3.02 4.30 5.02 -1.26 -1.55 118.16 123.05 2dar n LYS 70 Ca -0.15 0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 2dar n LYS 70 Cb 0.52 -4.96 0.06 0.00 -0.02 0.00 0.00 35.03 30.64 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 -1.64 -0.25 3.63 0.72 0.00 -1.26 -5.04 105.19 101.35 2dar n GLY 71 Ca -0.06 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.27 -1.83 -0.09 4.61 0.00 -0.59 -5.16 121.76 115.42 2dar s ALA 72 Ca 0.06 2.24 -0.11 0.00 0.00 0.00 0.00 51.96 54.15 2dar s ALA 72 Cb -0.01 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2dar s ALA 72 CO 0.55 -0.36 0.27 -0.51 0.00 0.00 0.00 175.76 175.70 2dar s LEU 73 N 1.05 4.37 -0.04 0.00 1.43 -1.26 -0.73 118.68 123.50 2dar s LEU 73 Ca -0.05 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2dar s LEU 73 Cb -0.05 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.88 2dar s LEU 73 CO -0.10 0.30 0.04 -0.31 0.23 0.00 0.00 176.35 176.51 2dar s TYR 74 N -0.62 0.16 0.82 0.29 2.02 -0.49 -3.23 117.35 116.31 2dar s TYR 74 Ca 0.18 0.16 -0.13 0.00 -0.37 0.00 0.00 57.07 56.90 2dar s TYR 74 Cb -0.14 -0.49 0.07 0.00 -0.40 0.00 0.00 41.96 41.01 2dar s TYR 74 CO 0.07 -0.19 1.08 0.00 -1.57 0.00 0.00 175.55 174.94 2dar h GLU 76 N -0.95 0.23 0.89 0.00 4.11 -1.90 0.30 114.58 117.25 2dar h GLU 76 Ca -0.46 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.91 2dar h GLU 76 Cb 1.30 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2dar h GLU 76 CO 0.44 0.15 -0.43 -0.07 0.07 0.00 0.00 179.01 179.18 2dar h LEU 77 N 0.23 -1.01 -0.37 3.06 3.38 -1.92 0.40 115.31 119.08 2dar h LEU 77 Ca 0.74 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.81 2dar h LEU 77 Cb 2.01 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 42.97 2dar h LEU 77 CO -0.47 -0.71 0.06 0.00 0.09 0.00 0.00 178.44 177.41 2dar h TYR 79 N 0.18 -0.90 -1.03 0.00 5.03 -0.99 -1.03 116.97 118.24 2dar h TYR 79 Ca 0.18 0.00 0.27 0.00 2.58 0.00 0.00 58.73 61.76 2dar h TYR 79 Cb 0.22 0.34 -0.08 0.00 1.55 0.00 0.00 36.73 38.76 2dar h TYR 79 CO -0.20 -0.44 0.68 1.49 -1.32 0.00 0.00 178.16 178.37 2dar h GLU 80 N -0.67 0.32 -0.13 1.82 4.81 -0.79 1.88 114.58 121.82 2dar h GLU 80 Ca -0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2dar h GLU 80 Cb 0.57 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2dar h GLU 80 CO -0.02 0.21 0.05 0.87 -0.73 0.00 0.00 179.01 179.39 2dar h LYS 81 N 0.33 0.20 0.00 1.92 1.57 -0.46 -2.30 116.57 117.82 2dar h LYS 81 Ca 0.57 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2dar h LYS 81 Cb 1.57 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2dar h LYS 81 CO -0.23 0.31 -0.42 0.74 -0.57 0.00 0.00 179.45 179.28 2dar h PHE 82 N 0.04 0.00 0.16 -1.35 0.04 0.38 -3.36 116.94 112.85 2dar h PHE 82 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2dar h PHE 82 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2dar h PHE 82 CO -0.01 0.00 -0.19 0.74 -0.60 0.00 0.00 178.31 178.25 2dar h PHE 83 N -0.84 -0.53 0.00 -0.55 -1.00 0.27 -2.68 116.94 111.60 2dar h PHE 83 Ca 0.00 0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.64 2dar h PHE 83 Cb 0.42 0.21 -0.05 0.00 3.61 0.00 0.00 35.95 40.13 2dar h PHE 83 CO -0.18 -0.24 -0.20 0.00 -1.61 0.00 0.00 178.31 176.08 2dar n ALA 84 N -2.49 5.22 -2.96 2.45 0.00 -0.87 -4.86 120.51 116.99 2dar n ALA 84 Ca -0.04 -1.41 -0.22 0.00 0.00 0.00 0.00 53.44 51.77 2dar n ALA 84 Cb 0.17 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 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 2.20 6.32 0.54 0.00 0.15 -1.01 -4.66 113.70 117.24 2dar s SER 85 Ca 0.52 0.09 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 2dar s SER 85 Cb 0.25 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 2dar s SER 85 CO 0.00 -0.05 1.31 -0.83 1.20 0.00 0.00 173.24 174.87 2dar s GLY 86 N -3.84 2.86 0.45 9.45 0.00 -1.26 -4.97 107.32 110.00 2dar s GLY 86 Ca 0.34 1.23 -0.23 0.00 0.00 0.00 0.00 44.72 46.06 2dar s GLY 86 CO 0.29 1.72 1.17 2.56 0.00 0.00 0.00 173.10 178.84 2dar s PRO 87 N -2.93 3.82 -1.42 2.90 0.04 -1.26 -3.44 135.00 132.72 2dar s PRO 87 Ca 0.71 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.47 2dar s PRO 87 Cb -0.37 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.74 2dar s PRO 87 CO 0.44 -0.51 0.89 0.43 0.04 0.00 0.00 177.00 178.29 2dar n SER 88 N -0.37 -3.40 -4.62 6.66 7.64 -1.26 -4.90 113.62 113.37 2dar n SER 88 Ca 0.07 -0.77 -0.43 0.00 1.01 0.00 0.00 58.87 58.75 2dar n SER 88 Cb 0.48 -4.10 -0.03 0.00 -1.01 0.00 0.00 64.21 59.55 2dar n SER 88 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dar s SER 89 N -3.77 6.77 0.00 6.43 0.15 -1.22 -5.30 113.70 116.75 2dar s SER 89 Ca 0.37 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2dar s SER 89 Cb -0.18 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dar s SER 89 CO 0.81 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.88