#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 6.63 0.02 1.61 0.15 -1.26 -5.03 113.70 115.83 2dar s SER 2 Ca 0.00 -3.05 0.06 0.00 0.70 0.00 0.00 55.95 53.66 2dar s SER 2 Cb 0.00 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 2dar s SER 2 CO 0.00 -0.43 -0.19 -0.55 1.20 0.00 0.00 173.24 173.27 2dar s SER 3 N 1.52 2.23 0.00 5.45 0.15 -1.26 -5.08 113.70 116.71 2dar s SER 3 Ca 0.22 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2dar s SER 3 Cb -0.11 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 2dar s SER 3 CO -0.08 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dar n GLY 4 N 2.18 -1.30 3.46 9.45 0.00 -1.26 -5.16 105.19 112.56 2dar n GLY 4 Ca -0.16 0.88 -0.32 0.00 0.00 0.00 0.00 46.02 46.41 2dar n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dar n SER 5 N 0.00 -1.59 -3.91 1.61 3.41 -1.26 -5.03 113.62 106.86 2dar n SER 5 Ca 0.00 0.31 -0.20 0.00 -0.26 0.00 0.00 58.87 58.72 2dar n SER 5 Cb 0.00 -1.25 -0.16 0.00 -0.26 0.00 0.00 64.21 62.54 2dar n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dar s SER 6 N -2.15 0.94 -0.77 4.04 1.04 -1.26 -4.87 113.70 110.67 2dar s SER 6 Ca 0.59 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.86 2dar s SER 6 Cb -0.21 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 2dar s SER 6 CO 0.65 -0.03 0.67 0.61 0.98 0.00 0.00 173.24 176.12 2dar n GLY 7 N 3.87 -0.43 0.25 7.32 0.00 -1.26 -4.91 105.19 110.03 2dar n GLY 7 Ca -0.24 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2dar n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dar h ASP 8 N -0.93 0.00 -2.65 1.61 3.58 -1.98 -3.44 116.42 112.59 2dar h ASP 8 Ca -0.43 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 56.63 2dar h ASP 8 Cb 1.22 0.00 0.21 0.00 1.72 0.00 0.00 39.33 42.48 2dar h ASP 8 CO 0.32 0.15 -0.41 0.00 -2.88 0.00 0.00 179.24 176.43 2dar n GLN 9 N -3.65 -2.87 -0.42 0.28 1.13 -1.26 -4.94 117.38 105.65 2dar n GLN 9 Ca -0.02 -0.83 0.07 0.00 -1.94 0.00 0.00 57.00 54.28 2dar n GLN 9 Cb 0.27 -1.86 0.22 0.00 0.11 0.00 0.00 30.24 28.98 2dar n GLN 9 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2dar n ASP 10 N -3.70 3.24 -4.46 1.08 2.03 -1.26 -5.00 116.55 108.47 2dar n ASP 10 Ca 0.05 -3.18 -0.30 0.00 0.52 0.00 0.00 54.79 51.88 2dar n ASP 10 Cb 0.55 -0.53 -0.12 0.00 -0.72 0.00 0.00 41.12 40.30 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 -2.92 2.75 0.23 5.18 2.01 -1.26 -5.03 115.64 116.60 2dar s THR 11 Ca 0.40 -1.40 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2dar s THR 11 Cb 0.34 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.67 2dar s THR 11 CO 0.06 0.19 1.65 -0.07 -0.69 0.00 0.00 174.62 175.76 2dar h LEU 12 N 4.07 0.69 -6.11 4.42 3.38 -1.94 -3.44 115.31 116.37 2dar h LEU 12 Ca -0.49 -0.25 -0.59 0.00 0.09 0.00 0.00 57.88 56.64 2dar h LEU 12 Cb 1.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2dar h LEU 12 CO 0.46 0.91 0.78 0.52 0.09 0.00 0.00 178.44 181.21 2dar n VAL 13 N -4.11 0.00 -3.75 1.22 0.31 -1.26 -4.78 118.33 105.97 2dar n VAL 13 Ca -0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2dar n VAL 13 Cb 0.43 -0.36 0.01 0.00 -0.91 0.00 0.00 33.84 33.01 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 4.47 0.68 -3.67 5.55 6.02 0.38 -4.83 117.38 125.98 2dar n GLN 14 Ca 0.33 -3.34 -0.22 0.00 -0.01 0.00 0.00 57.00 53.77 2dar n GLN 14 Cb -0.03 0.27 -0.18 0.00 1.02 0.00 0.00 30.24 31.32 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 -4.28 0.03 0.02 -1.09 0.52 -1.26 -2.64 118.95 110.25 2dar s ARG 15 Ca 0.35 0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 2dar s ARG 15 Cb -0.03 -0.86 -0.07 0.00 0.52 0.00 0.00 34.95 34.51 2dar s ARG 15 CO 0.22 -0.40 1.68 0.00 0.02 0.00 0.00 175.30 176.82 2dar s ALA 16 N 2.14 3.65 -0.28 2.13 0.00 -1.26 -4.90 121.76 123.23 2dar s ALA 16 Ca 0.04 1.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 2dar s ALA 16 Cb -0.13 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 2dar s ALA 16 CO -0.05 -1.24 2.17 -2.00 0.00 0.00 0.00 175.76 174.65 2dar s GLU 17 N 3.25 3.01 -0.42 0.00 2.12 -1.13 -4.78 118.70 120.75 2dar s GLU 17 Ca 0.75 1.81 -0.28 0.00 0.36 0.00 0.00 54.97 57.61 2dar s GLU 17 Cb -0.38 -4.37 -0.02 0.00 0.26 0.00 0.00 34.13 29.61 2dar s GLU 17 CO 0.32 -2.25 1.87 -1.01 -0.54 0.00 0.00 175.26 173.65 2dar s HIS 18 N 8.65 1.70 -0.22 5.30 3.76 -1.26 -3.08 115.29 130.14 2dar s HIS 18 Ca 0.96 0.74 -0.13 0.00 -0.15 0.00 0.00 55.06 56.48 2dar s HIS 18 Cb -0.29 -4.07 -0.05 0.00 1.11 0.00 0.00 32.58 29.28 2dar s HIS 18 CO 0.33 -2.75 0.26 0.42 -0.85 0.00 0.00 174.74 172.15 2dar s ILE 19 N 7.92 5.29 1.09 0.60 -1.09 -0.35 -5.00 121.20 129.66 2dar s ILE 19 Ca 0.78 0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 59.45 2dar s ILE 19 Cb -0.19 -3.60 0.24 0.00 -1.58 0.00 0.00 42.46 37.32 2dar s ILE 19 CO 0.29 0.30 1.10 -2.16 -1.23 0.00 0.00 174.94 173.25 2dar s PRO 20 N 1.19 -0.35 0.85 2.79 0.04 -1.26 -1.29 135.00 136.97 2dar s PRO 20 Ca 0.12 0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 2dar s PRO 20 Cb -0.14 -1.67 0.11 0.00 0.04 0.00 0.00 34.50 32.84 2dar s PRO 20 CO 0.06 -3.20 1.16 0.00 0.04 0.00 0.00 177.00 175.06 2dar s ALA 21 N -2.98 2.26 -1.59 8.56 0.00 -1.26 -4.09 121.76 122.65 2dar s ALA 21 Ca 0.68 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2dar s ALA 21 Cb -0.15 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2dar s ALA 21 CO 0.57 -1.95 0.48 0.41 0.00 0.00 0.00 175.76 175.27 2dar n GLY 22 N -2.82 -0.52 1.33 0.00 0.00 -1.25 -4.85 105.19 97.08 2dar n GLY 22 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2dar n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dar n LYS 23 N -3.81 0.00 -4.07 1.61 4.76 -1.26 -5.11 118.16 110.27 2dar n LYS 23 Ca -0.14 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.16 2dar n LYS 23 Cb 0.63 -0.11 -0.14 0.00 -1.84 0.00 0.00 35.03 33.57 2dar n LYS 23 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dar s ARG 24 N -1.34 0.34 -0.67 1.97 3.52 -1.26 -5.08 118.95 116.44 2dar s ARG 24 Ca 0.00 -0.24 0.04 0.00 -0.13 0.00 0.00 55.73 55.40 2dar s ARG 24 Cb 0.00 -0.28 0.32 0.00 -1.56 0.00 0.00 34.95 33.44 2dar s ARG 24 CO 0.00 0.07 1.06 0.25 -0.81 0.00 0.00 175.30 175.87 2dar n THR 25 N 2.71 3.49 -1.17 4.11 -2.24 -1.26 -4.80 114.28 115.12 2dar n THR 25 Ca -0.15 -5.61 -0.29 0.00 -2.27 0.00 0.00 64.05 55.74 2dar n THR 25 Cb 0.58 -1.53 0.17 0.00 -2.10 0.00 0.00 70.33 67.45 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 -3.45 0.61 -0.29 -0.78 0.04 -1.26 -4.37 135.00 125.49 2dar s PRO 26 Ca 0.46 0.60 -0.14 0.00 0.04 0.00 0.00 61.00 61.96 2dar s PRO 26 Cb 0.24 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 33.00 2dar s PRO 26 CO -0.11 -2.63 0.32 -1.64 0.04 0.00 0.00 177.00 172.98 2dar s MET 27 N -4.95 3.87 1.03 4.56 -1.94 -1.26 -1.87 119.30 118.73 2dar s MET 27 Ca 0.65 -0.19 -0.21 0.00 -1.71 0.00 0.00 55.69 54.23 2dar s MET 27 Cb -0.18 -3.70 -0.08 0.00 2.01 0.00 0.00 34.83 32.88 2dar s MET 27 CO 0.57 -0.32 -0.74 0.00 -0.01 0.00 0.00 175.02 174.53 2dar n ALA 29 N -3.54 1.56 -0.00 0.00 0.00 -0.74 -3.63 120.51 114.15 2dar n ALA 29 Ca -0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 53.44 52.30 2dar n ALA 29 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.92 -3.40 115.15 109.83 2dar h HIS 30 Ca -0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 59.77 2dar h HIS 30 Cb 2.04 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 29.43 2dar h HIS 30 CO 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 177.93 177.37 2dar n ASN 32 N -3.39 -2.13 -4.17 0.00 5.15 -1.24 -4.99 115.26 104.50 2dar n ASN 32 Ca 0.01 -0.50 -0.27 0.00 -0.60 0.00 0.00 54.58 53.22 2dar n ASN 32 Cb 0.69 -4.24 -0.16 0.00 -0.53 0.00 0.00 39.78 35.54 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 -5.13 1.93 0.09 1.20 -0.21 -1.26 -4.72 119.66 111.57 2dar s GLN 33 Ca 0.01 -0.67 -0.36 0.00 0.02 0.00 0.00 55.36 54.36 2dar s GLN 33 Cb -0.01 -1.68 -0.17 0.00 1.00 0.00 0.00 33.01 32.16 2dar s GLN 33 CO 0.59 0.28 1.21 1.55 -2.12 0.00 0.00 175.29 176.80 2dar n VAL 34 N 3.08 0.31 -3.85 1.09 3.14 -1.26 -3.10 118.33 117.74 2dar n VAL 34 Ca -0.18 -0.08 -0.35 0.00 -2.96 0.00 0.00 64.34 60.78 2dar n VAL 34 Cb 0.53 -0.62 -0.09 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 0.15 5.09 -0.25 1.55 1.01 -0.78 -4.94 121.20 123.03 2dar s ILE 35 Ca 0.82 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 2dar s ILE 35 Cb -0.99 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 2dar s ILE 35 CO 0.51 0.44 -0.36 0.54 0.00 0.00 0.00 174.94 176.07 2dar n ARG 36 N 3.64 0.57 0.00 2.79 1.74 -1.26 -4.13 116.66 120.01 2dar n ARG 36 Ca -0.16 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2dar n ARG 36 Cb 0.52 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 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 1.32 -1.07 3.76 -0.13 0.00 -1.26 -3.89 105.19 103.92 2dar n GLY 37 Ca -0.41 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 4.45 0.35 1.61 0.04 -1.26 -4.43 135.00 135.76 2dar s PRO 38 Ca 0.00 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2dar s PRO 38 Cb 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2dar s PRO 38 CO 0.00 -0.07 0.12 -0.59 0.04 0.00 0.00 177.00 176.51 2dar s PHE 39 N -0.95 1.74 -0.16 0.56 -0.12 -0.41 -4.58 117.98 114.05 2dar s PHE 39 Ca 0.49 -1.24 0.02 0.00 -0.05 0.00 0.00 56.93 56.14 2dar s PHE 39 Cb -0.37 -1.06 0.02 0.00 -0.63 0.00 0.00 43.02 40.98 2dar s PHE 39 CO 0.47 -0.32 -0.21 -0.51 -0.05 0.00 0.00 175.22 174.60 2dar s LEU 40 N -3.48 2.10 -0.36 -1.99 1.43 -0.84 -1.21 118.68 114.32 2dar s LEU 40 Ca 0.31 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2dar s LEU 40 Cb 0.05 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.83 2dar s LEU 40 CO 0.16 0.04 0.24 0.54 0.23 0.00 0.00 176.35 177.55 2dar s VAL 41 N 1.06 5.08 0.18 -1.59 0.11 -1.18 -0.68 120.40 123.38 2dar s VAL 41 Ca -0.01 -0.47 -0.10 0.00 -2.93 0.00 0.00 61.98 58.47 2dar s VAL 41 Cb -0.14 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 2dar s VAL 41 CO -0.07 -0.12 0.34 0.00 -3.33 0.00 0.00 175.10 171.91 2dar s ALA 42 N 1.67 -0.07 -0.78 1.54 0.00 0.13 -2.82 121.76 121.42 2dar s ALA 42 Ca 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2dar s ALA 42 Cb -0.18 0.93 0.03 0.00 0.00 0.00 0.00 23.12 23.89 2dar s ALA 42 CO 0.09 -0.70 0.13 1.28 0.00 0.00 0.00 175.76 176.56 2dar n LEU 43 N -0.26 -0.82 -2.25 0.00 7.99 -1.26 0.62 117.00 121.02 2dar n LEU 43 Ca -0.06 0.11 -0.16 0.00 -0.01 0.00 0.00 56.01 55.89 2dar n LEU 43 Cb 0.63 -1.72 0.03 0.00 -0.11 0.00 0.00 43.42 42.25 2dar n LEU 43 CO 0.24 -0.02 0.02 0.61 -1.51 0.00 0.00 177.39 176.73 2dar n GLY 44 N -0.79 -0.16 3.85 -0.72 0.00 -1.26 -4.99 105.19 101.12 2dar n GLY 44 Ca -0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.43 1.79 0.03 1.61 1.02 0.20 -5.17 119.74 113.79 2dar s LYS 45 Ca 0.24 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.26 2dar s LYS 45 Cb -0.11 0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 37.77 2dar s LYS 45 CO 0.30 -0.82 -0.04 -1.54 -0.92 0.00 0.00 175.35 172.32 2dar s SER 46 N -2.94 4.77 0.11 2.83 1.04 -1.26 0.18 113.70 118.43 2dar s SER 46 Ca 0.12 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 2dar s SER 46 Cb -0.06 -1.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.90 2dar s SER 46 CO 0.07 0.25 0.05 0.26 0.98 0.00 0.00 173.24 174.85 2dar s TRP 47 N -1.10 0.70 0.10 5.02 0.52 0.14 -1.78 118.94 122.54 2dar s TRP 47 Ca 0.20 -1.13 -0.23 0.00 0.02 0.00 0.00 56.10 54.96 2dar s TRP 47 Cb -0.11 -0.41 -0.07 0.00 -1.15 0.00 0.00 33.47 31.73 2dar s TRP 47 CO 0.11 -0.49 0.70 -1.01 0.02 0.00 0.00 176.95 176.28 2dar s HIS 48 N -4.00 3.82 -1.34 -1.98 3.76 -1.26 -1.98 115.29 112.31 2dar s HIS 48 Ca 0.18 1.47 0.15 0.00 -0.15 0.00 0.00 55.06 56.70 2dar s HIS 48 Cb 0.07 -2.70 0.72 0.00 1.11 0.00 0.00 32.58 31.79 2dar s HIS 48 CO -0.03 0.46 1.42 -0.35 -0.85 0.00 0.00 174.74 175.40 2dar n PRO 49 N 2.01 0.17 -0.07 8.40 -0.04 -1.26 -0.31 135.00 143.89 2dar n PRO 49 Ca -0.06 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2dar n PRO 49 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.33 1.24 -0.05 0.54 0.28 -1.26 -4.62 120.64 115.44 2dar n GLU 50 Ca 0.06 -0.04 -0.21 0.00 -0.16 0.00 0.00 57.16 56.82 2dar n GLU 50 Cb 0.13 -1.41 -0.13 0.00 1.43 0.00 0.00 31.44 31.46 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 -2.50 0.70 -1.40 3.44 1.02 -1.03 -4.88 120.64 115.99 2dar n GLU 51 Ca -0.22 0.27 -0.50 0.00 -0.02 0.00 0.00 57.16 56.69 2dar n GLU 51 Cb 0.91 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.57 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 -3.59 1.18 -3.81 -0.32 7.35 0.57 -4.89 117.46 113.96 2dar n PHE 52 Ca -0.36 0.46 -0.12 0.00 -0.76 0.00 0.00 57.45 56.66 2dar n PHE 52 Cb 0.98 -2.42 -0.09 0.00 0.35 0.00 0.00 39.48 38.30 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 7.67 -0.10 1.07 -2.13 0.01 -1.26 -3.14 114.94 117.06 2dar s ASN 53 Ca 1.19 -0.05 -0.17 0.00 -0.71 0.00 0.00 52.86 53.12 2dar s ASN 53 Cb -1.12 0.27 0.13 0.00 0.41 0.00 0.00 41.25 40.93 2dar s ASN 53 CO 0.53 -0.42 0.09 0.00 -1.51 0.00 0.00 177.10 175.79 2dar n ALA 55 N -4.41 2.90 -0.03 0.00 0.00 -1.21 -3.91 120.51 113.83 2dar n ALA 55 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 2dar n ALA 55 Cb 0.49 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.81 0.00 0.52 0.00 -0.00 -1.26 -4.66 115.22 108.00 2dar n HIS 56 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.84 2dar n HIS 56 Cb 0.33 -0.22 0.36 0.00 -0.00 0.00 0.00 29.99 30.46 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 -2.46 -4.95 -4.20 0.00 4.76 -1.25 -4.95 118.16 105.11 2dar n LYS 58 Ca 0.05 0.59 -0.23 0.00 -2.87 0.00 0.00 58.31 55.85 2dar n LYS 58 Cb 0.44 -5.22 -0.07 0.00 -1.84 0.00 0.00 35.03 28.35 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 -4.02 4.71 -0.09 4.39 0.01 -1.26 -4.68 114.94 114.00 2dar s ASN 59 Ca 0.22 -0.64 -0.34 0.00 -0.71 0.00 0.00 52.86 51.38 2dar s ASN 59 Cb -0.11 -0.87 -0.12 0.00 0.41 0.00 0.00 41.25 40.56 2dar s ASN 59 CO 0.83 -0.11 1.86 1.07 -1.51 0.00 0.00 177.10 179.24 2dar n THR 60 N -1.02 0.54 -1.70 1.60 5.66 -1.26 -1.31 114.28 116.79 2dar n THR 60 Ca -0.05 -0.10 -0.31 0.00 -3.05 0.00 0.00 64.05 60.54 2dar n THR 60 Cb 0.60 -1.83 0.05 0.00 -1.55 0.00 0.00 70.33 67.60 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 6.45 3.06 -0.05 1.09 2.81 -1.19 -4.67 117.12 124.62 2dar n MET 61 Ca 0.23 -3.69 -0.05 0.00 -1.81 0.00 0.00 57.70 52.37 2dar n MET 61 Cb 0.29 -2.28 -0.02 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 n ALA 62 N -0.78 0.49 -0.20 3.04 0.00 -1.26 -4.52 120.51 117.28 2dar n ALA 62 Ca 0.54 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2dar n ALA 62 Cb 0.72 0.02 0.02 0.00 0.00 0.00 0.00 19.45 20.21 2dar n ALA 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dar n TYR 63 N -3.67 0.60 -4.03 0.00 4.01 -1.26 -4.78 117.16 108.03 2dar n TYR 63 Ca -0.08 -1.15 -0.13 0.00 -0.16 0.00 0.00 57.90 56.38 2dar n TYR 63 Cb 0.29 -0.57 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 2dar n TYR 63 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2dar s ILE 64 N -0.81 0.00 0.01 -0.72 -4.36 -1.26 -5.17 121.20 108.89 2dar s ILE 64 Ca 0.12 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2dar s ILE 64 Cb 0.09 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2dar s ILE 64 CO 0.01 0.00 0.01 -0.83 0.24 0.00 0.00 174.94 174.36 2dar s GLY 65 N -3.19 1.89 0.27 6.27 0.00 -1.26 -4.69 107.32 106.60 2dar s GLY 65 Ca 0.27 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 44.09 2dar s GLY 65 CO 0.18 -0.83 -0.03 -0.11 0.00 0.00 0.00 173.10 172.31 2dar s PHE 66 N -1.11 1.81 -0.03 1.90 -0.12 -1.08 0.12 117.98 119.47 2dar s PHE 66 Ca 0.20 -0.81 0.03 0.00 -0.05 0.00 0.00 56.93 56.30 2dar s PHE 66 Cb -0.12 -1.06 0.00 0.00 -0.63 0.00 0.00 43.02 41.22 2dar s PHE 66 CO 0.11 0.13 -0.10 0.08 -0.05 0.00 0.00 175.22 175.40 2dar s VAL 67 N -3.19 0.84 -0.18 -2.49 1.01 0.20 -0.47 120.40 116.12 2dar s VAL 67 Ca 0.30 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2dar s VAL 67 Cb 0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2dar s VAL 67 CO 0.11 0.26 0.64 -0.70 0.00 0.00 0.00 175.10 175.40 2dar s GLU 68 N 0.16 4.25 -0.23 2.72 2.12 -1.26 -0.87 118.70 125.58 2dar s GLU 68 Ca -0.03 0.65 -0.08 0.00 0.36 0.00 0.00 54.97 55.88 2dar s GLU 68 Cb -0.09 -3.55 0.11 0.00 0.26 0.00 0.00 34.13 30.86 2dar s GLU 68 CO 0.01 -0.19 0.49 -2.00 -0.54 0.00 0.00 175.26 173.03 2dar s GLU 69 N 1.72 0.40 -1.31 4.30 2.56 -0.02 -4.94 118.70 121.42 2dar s GLU 69 Ca 0.30 1.14 -0.01 0.00 0.00 0.00 0.00 54.97 56.39 2dar s GLU 69 Cb -0.16 0.47 0.01 0.00 2.00 0.00 0.00 34.13 36.45 2dar s GLU 69 CO 0.11 -0.26 0.78 1.63 -0.56 0.00 0.00 175.26 176.97 2dar n LYS 70 N 5.41 -5.31 -3.42 4.30 4.76 -1.26 -1.66 118.16 120.98 2dar n LYS 70 Ca -0.09 0.66 -0.25 0.00 -2.87 0.00 0.00 58.31 55.76 2dar n LYS 70 Cb 0.49 -5.33 0.04 0.00 -1.84 0.00 0.00 35.03 28.40 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 -1.53 -0.52 3.06 0.72 0.00 -1.26 -4.98 105.19 100.68 2dar n GLY 71 Ca -0.26 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.21 -0.54 -0.22 4.61 0.00 -0.66 -5.14 121.76 116.59 2dar s ALA 72 Ca 0.48 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 2dar s ALA 72 Cb -0.22 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 2dar s ALA 72 CO 0.59 -0.18 0.32 -0.51 0.00 0.00 0.00 175.76 175.98 2dar s LEU 73 N 1.03 4.13 -0.09 0.00 1.43 -1.26 -0.84 118.68 123.08 2dar s LEU 73 Ca -0.07 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2dar s LEU 73 Cb -0.09 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 2dar s LEU 73 CO -0.07 -0.04 -0.23 -0.31 0.23 0.00 0.00 176.35 175.93 2dar s TYR 74 N 1.32 2.44 0.62 0.29 2.02 -0.05 -3.34 117.35 120.64 2dar s TYR 74 Ca 0.15 -0.96 -0.17 0.00 -0.37 0.00 0.00 57.07 55.72 2dar s TYR 74 Cb -0.14 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2dar s TYR 74 CO 0.07 -0.38 1.15 0.00 -1.57 0.00 0.00 175.55 174.82 2dar h GLU 76 N 0.53 0.21 0.28 0.00 4.11 -0.66 0.19 114.58 119.24 2dar h GLU 76 Ca -0.49 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 2dar h GLU 76 Cb 1.27 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2dar h GLU 76 CO 0.55 0.14 -0.23 -0.07 0.07 0.00 0.00 179.01 179.46 2dar h LEU 77 N 0.22 -0.62 0.73 3.06 3.38 -1.90 0.39 115.31 120.58 2dar h LEU 77 Ca 0.77 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.75 2dar h LEU 77 Cb 1.95 0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.91 2dar h LEU 77 CO -0.58 -0.35 -0.35 0.00 0.09 0.00 0.00 178.44 177.25 2dar h TYR 79 N -1.04 -1.15 -0.05 0.00 5.03 -1.18 0.35 116.97 118.95 2dar h TYR 79 Ca -0.10 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.26 2dar h TYR 79 Cb 0.76 0.49 -0.00 0.00 1.55 0.00 0.00 36.73 39.54 2dar h TYR 79 CO -0.01 -0.50 0.31 1.49 -1.32 0.00 0.00 178.16 178.12 2dar h GLU 80 N -0.61 0.00 0.05 1.82 4.81 -0.23 1.05 114.58 121.47 2dar h GLU 80 Ca 0.03 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.03 2dar h GLU 80 Cb 0.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2dar h GLU 80 CO -0.27 0.00 -1.23 0.87 -0.73 0.00 0.00 179.01 177.66 2dar h LYS 81 N 0.00 0.11 0.00 1.92 1.57 0.15 -3.30 116.57 117.03 2dar h LYS 81 Ca 0.02 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2dar h LYS 81 Cb 0.64 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2dar h LYS 81 CO -0.00 1.09 -0.17 0.74 -0.57 0.00 0.00 179.45 180.54 2dar h PHE 82 N -0.64 0.00 0.02 -1.35 0.04 0.91 -3.42 116.94 112.50 2dar h PHE 82 Ca -0.30 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.47 2dar h PHE 82 Cb 1.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.65 2dar h PHE 82 CO 0.13 0.00 -0.02 0.74 -0.60 0.00 0.00 178.31 178.56 2dar h PHE 83 N -0.81 -0.06 -0.45 -0.55 -1.00 0.87 -3.31 116.94 111.63 2dar h PHE 83 Ca 0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 2dar h PHE 83 Cb 0.17 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 2dar h PHE 83 CO -0.07 -0.03 0.80 0.00 -1.61 0.00 0.00 178.31 177.40 2dar s ALA 84 N -3.37 1.51 -0.97 2.45 0.00 -1.08 -4.87 121.76 115.42 2dar s ALA 84 Ca -0.01 -1.86 -0.24 0.00 0.00 0.00 0.00 51.96 49.85 2dar s ALA 84 Cb 0.00 -4.65 -0.01 0.00 0.00 0.00 0.00 23.12 18.46 2dar s ALA 84 CO 0.02 -5.45 1.74 0.45 0.00 0.00 0.00 175.76 172.52 2dar s SER 85 N 7.31 5.73 0.00 0.00 0.15 -1.25 -4.41 113.70 121.23 2dar s SER 85 Ca 0.72 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2dar s SER 85 Cb -0.03 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dar s SER 85 CO 0.11 -2.22 0.00 0.61 1.20 0.00 0.00 173.24 172.94 2dar n GLY 86 N 6.78 -1.61 0.00 9.45 0.00 -1.26 -5.01 105.19 113.54 2dar n GLY 86 Ca 0.38 0.61 0.06 0.00 0.00 0.00 0.00 46.02 47.07 2dar n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dar n PRO 87 N 0.00 0.49 -2.84 1.61 -0.04 -1.26 -4.84 135.00 128.12 2dar n PRO 87 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2dar n PRO 87 Cb 0.00 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.14 2dar n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dar n SER 88 N -0.87 -2.51 -0.05 3.54 2.88 -1.26 -4.98 113.62 110.37 2dar n SER 88 Ca 0.09 -0.40 -0.22 0.00 -1.33 0.00 0.00 58.87 57.02 2dar n SER 88 Cb 0.04 -3.40 -0.13 0.00 -0.75 0.00 0.00 64.21 59.97 2dar n SER 88 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dar n SER 89 N -2.37 2.03 -0.53 -3.46 7.64 -1.26 -5.34 113.62 110.32 2dar n SER 89 Ca -0.16 0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.06 2dar n SER 89 Cb 0.60 -0.80 0.48 0.00 -1.01 0.00 0.00 64.21 63.47 2dar n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64