#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dar h SER 2 N 0.00 -0.05 -5.04 1.61 4.64 -2.15 -3.45 113.55 109.11 2dar h SER 2 Ca 0.00 0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 2dar h SER 2 Cb 0.00 0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 61.98 2dar h SER 2 CO 0.00 -0.00 -0.17 -0.55 -0.87 0.00 0.00 176.83 175.24 2dar s SER 3 N -5.23 -0.22 0.23 4.97 0.15 -1.26 -5.18 113.70 107.15 2dar s SER 3 Ca -0.13 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dar s SER 3 Cb 0.09 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2dar s SER 3 CO 0.68 -0.63 0.02 0.61 1.20 0.00 0.00 173.24 175.12 2dar n GLY 4 N 0.60 3.80 3.93 9.45 0.00 -1.26 -5.16 105.19 116.54 2dar n GLY 4 Ca -0.19 -2.28 -0.20 0.00 0.00 0.00 0.00 46.02 43.35 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 -2.29 5.18 0.06 1.61 0.01 -1.26 -5.14 113.70 111.87 2dar s SER 5 Ca 0.02 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 2dar s SER 5 Cb -0.00 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2dar s SER 5 CO 0.01 -0.79 0.21 -0.94 0.41 0.00 0.00 173.24 172.13 2dar s SER 6 N -4.26 0.05 0.24 2.44 1.04 -1.26 -5.14 113.70 106.82 2dar s SER 6 Ca 0.50 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 2dar s SER 6 Cb -0.05 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.29 2dar s SER 6 CO 0.30 -0.64 1.41 -0.83 0.98 0.00 0.00 173.24 174.45 2dar s GLY 7 N -2.43 2.38 -0.13 7.32 0.00 -1.26 -5.02 107.32 108.18 2dar s GLY 7 Ca -0.01 1.28 -0.00 0.00 0.00 0.00 0.00 44.72 46.00 2dar s GLY 7 CO -0.07 2.23 -0.10 0.99 0.00 0.00 0.00 173.10 176.15 2dar s ASP 8 N 0.32 2.44 -1.35 1.64 1.11 -1.26 -4.81 116.67 114.76 2dar s ASP 8 Ca 0.58 -0.41 -0.01 0.00 0.18 0.00 0.00 52.55 52.89 2dar s ASP 8 Cb -0.41 -0.97 -0.00 0.00 1.07 0.00 0.00 42.92 42.61 2dar s ASP 8 CO 0.43 -0.10 0.55 0.00 1.18 0.00 0.00 175.17 177.23 2dar n GLN 9 N 4.87 -3.80 -5.11 8.23 1.13 -1.26 -4.97 117.38 116.47 2dar n GLN 9 Ca -0.14 0.50 -0.32 0.00 -1.94 0.00 0.00 57.00 55.10 2dar n GLN 9 Cb 0.50 -4.77 -0.16 0.00 0.11 0.00 0.00 30.24 25.92 2dar n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dar s ASP 10 N -4.31 3.40 0.25 1.08 1.11 -1.26 -5.09 116.67 111.84 2dar s ASP 10 Ca 0.03 -0.44 -0.30 0.00 0.18 0.00 0.00 52.55 52.02 2dar s ASP 10 Cb -0.01 -1.07 -0.14 0.00 1.07 0.00 0.00 42.92 42.77 2dar s ASP 10 CO 0.86 0.23 1.22 0.41 1.18 0.00 0.00 175.17 179.07 2dar n THR 11 N 3.04 1.33 -0.58 -1.27 -1.04 -1.26 -4.75 114.28 109.76 2dar n THR 11 Ca -0.18 -0.33 0.44 0.00 -2.04 0.00 0.00 64.05 61.94 2dar n THR 11 Cb 0.52 -1.19 0.68 0.00 -1.82 0.00 0.00 70.33 68.53 2dar n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dar n LEU 12 N 1.70 0.02 -3.74 -4.42 -0.00 -1.26 -4.54 117.00 104.77 2dar n LEU 12 Ca 0.11 0.89 -0.53 0.00 -0.00 0.00 0.00 56.01 56.48 2dar n LEU 12 Cb 0.30 -0.44 -0.08 0.00 -0.00 0.00 0.00 43.42 43.20 2dar n LEU 12 CO 0.61 -0.91 0.87 0.52 -0.00 0.00 0.00 177.39 178.49 2dar n VAL 13 N -3.74 0.00 -2.69 1.47 0.31 -1.26 -4.92 118.33 107.51 2dar n VAL 13 Ca 0.37 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.48 2dar n VAL 13 Cb 1.67 -0.36 0.08 0.00 -0.91 0.00 0.00 33.84 34.32 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 2.17 1.97 -0.12 5.55 -0.21 0.74 -4.85 119.66 124.90 2dar s GLN 14 Ca 0.82 -1.15 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 2dar s GLN 14 Cb -1.17 -2.43 0.03 0.00 1.00 0.00 0.00 33.01 30.45 2dar s GLN 14 CO 0.63 -1.19 0.32 1.03 -2.12 0.00 0.00 175.29 173.97 2dar s ARG 15 N -4.97 0.37 -0.08 2.91 0.52 -1.26 -2.73 118.95 113.71 2dar s ARG 15 Ca 0.64 0.47 -0.19 0.00 -0.52 0.00 0.00 55.73 56.13 2dar s ARG 15 Cb -0.06 0.15 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 2dar s ARG 15 CO 0.42 -0.06 0.51 0.00 0.02 0.00 0.00 175.30 176.19 2dar s ALA 16 N 0.31 3.49 -0.20 2.13 0.00 -1.26 -4.90 121.76 121.33 2dar s ALA 16 Ca -0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 2dar s ALA 16 Cb -0.03 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 2dar s ALA 16 CO -0.01 0.08 1.23 -2.00 0.00 0.00 0.00 175.76 175.06 2dar s GLU 17 N 0.28 4.19 -0.48 0.00 2.56 -1.08 -4.81 118.70 119.36 2dar s GLU 17 Ca 0.28 1.55 -0.28 0.00 0.00 0.00 0.00 54.97 56.52 2dar s GLU 17 Cb -0.16 -3.76 -0.01 0.00 2.00 0.00 0.00 34.13 32.20 2dar s GLU 17 CO 0.13 -0.75 1.74 -1.01 -0.56 0.00 0.00 175.26 174.81 2dar s HIS 18 N 3.57 1.86 -0.18 5.30 3.76 -1.26 -2.91 115.29 125.43 2dar s HIS 18 Ca 0.53 0.68 -0.17 0.00 -0.15 0.00 0.00 55.06 55.95 2dar s HIS 18 Cb -0.20 -4.16 -0.04 0.00 1.11 0.00 0.00 32.58 29.30 2dar s HIS 18 CO 0.14 -2.48 0.46 0.42 -0.85 0.00 0.00 174.74 172.44 2dar s ILE 19 N 7.54 5.16 0.88 0.60 -1.09 -0.28 -5.00 121.20 129.01 2dar s ILE 19 Ca 0.70 0.86 -0.11 0.00 -2.23 0.00 0.00 60.65 59.87 2dar s ILE 19 Cb -0.16 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 37.04 2dar s ILE 19 CO 0.27 0.24 1.09 -2.16 -1.23 0.00 0.00 174.94 173.16 2dar s PRO 20 N 1.26 1.41 0.68 2.79 0.04 -1.26 -1.77 135.00 138.15 2dar s PRO 20 Ca 0.23 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 2dar s PRO 20 Cb -0.15 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2dar s PRO 20 CO 0.09 -2.15 1.14 0.00 0.04 0.00 0.00 177.00 176.12 2dar s ALA 21 N -2.93 2.36 0.00 8.56 0.00 -1.26 -3.43 121.76 125.05 2dar s ALA 21 Ca 0.63 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2dar s ALA 21 Cb -0.18 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2dar s ALA 21 CO 0.57 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2dar n GLY 22 N -0.26 1.47 0.34 0.00 0.00 -1.23 -4.76 105.19 100.75 2dar n GLY 22 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.26 -3.69 1.61 3.00 -1.22 -4.63 118.16 112.96 2dar n LYS 23 Ca 0.00 1.30 -0.13 0.00 -0.00 0.00 0.00 58.31 59.48 2dar n LYS 23 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 35.03 33.03 2dar n LYS 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dar s ARG 24 N -5.68 0.83 -0.55 1.64 3.52 -1.26 -5.09 118.95 112.35 2dar s ARG 24 Ca -0.11 -0.23 0.07 0.00 -0.13 0.00 0.00 55.73 55.32 2dar s ARG 24 Cb 0.15 0.37 0.29 0.00 -1.56 0.00 0.00 34.95 34.20 2dar s ARG 24 CO 0.58 -0.26 0.78 0.25 -0.81 0.00 0.00 175.30 175.84 2dar n THR 25 N 0.86 1.86 -0.66 4.11 -2.24 -1.26 -4.82 114.28 112.13 2dar n THR 25 Ca -0.20 -5.09 -0.09 0.00 -2.27 0.00 0.00 64.05 56.40 2dar n THR 25 Cb 0.58 -1.63 0.08 0.00 -2.10 0.00 0.00 70.33 67.25 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 0.50 -1.68 -4.21 -0.78 -0.04 -1.26 -4.45 135.00 123.08 2dar n PRO 26 Ca 0.28 -0.54 -0.34 0.00 -0.04 0.00 0.00 63.50 62.86 2dar n PRO 26 Cb 0.45 -0.50 -0.14 0.00 -0.04 0.00 0.00 33.50 33.27 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 -3.76 3.40 0.14 0.54 -1.94 -1.26 -0.89 119.30 115.53 2dar s MET 27 Ca 0.22 -0.64 -0.34 0.00 -1.71 0.00 0.00 55.69 53.22 2dar s MET 27 Cb -0.02 -2.88 -0.16 0.00 2.01 0.00 0.00 34.83 33.78 2dar s MET 27 CO 0.17 -0.03 1.32 0.00 -0.01 0.00 0.00 175.02 176.47 2dar n ALA 29 N 2.24 2.80 0.00 0.00 0.00 -1.13 -0.65 120.51 123.77 2dar n ALA 29 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2dar n ALA 29 Cb 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.13 0.00 0.45 0.00 -0.00 -1.26 -4.85 115.22 109.69 2dar n HIS 30 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.83 2dar n HIS 30 Cb 0.45 0.13 -0.03 0.00 -0.00 0.00 0.00 29.99 30.55 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 -0.70 -5.49 -4.70 0.00 5.15 0.17 -4.95 115.26 104.74 2dar n ASN 32 Ca 0.03 -0.15 -0.35 0.00 -0.60 0.00 0.00 54.58 53.51 2dar n ASN 32 Cb 0.19 -4.51 -0.09 0.00 -0.53 0.00 0.00 39.78 34.84 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 -5.45 3.37 -0.08 1.20 -1.52 -1.26 -4.71 119.66 111.21 2dar s GLN 33 Ca 0.18 -0.34 -0.33 0.00 -1.95 0.00 0.00 55.36 52.92 2dar s GLN 33 Cb -0.08 -2.99 -0.11 0.00 -0.22 0.00 0.00 33.01 29.60 2dar s GLN 33 CO 0.22 0.59 1.91 1.55 -0.25 0.00 0.00 175.29 179.31 2dar n VAL 34 N 2.53 0.60 -3.04 1.09 3.14 -1.26 -1.94 118.33 119.45 2dar n VAL 34 Ca -0.18 -0.12 -0.41 0.00 -2.96 0.00 0.00 64.34 60.67 2dar n VAL 34 Cb 0.53 -1.95 -0.05 0.00 -1.06 0.00 0.00 33.84 31.31 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 4.31 4.96 -0.22 1.55 1.01 -0.07 -4.95 121.20 127.79 2dar s ILE 35 Ca 0.93 1.31 -0.16 0.00 0.00 0.00 0.00 60.65 62.73 2dar s ILE 35 Cb -0.65 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 37.72 2dar s ILE 35 CO 0.50 0.05 -0.27 0.54 0.00 0.00 0.00 174.94 175.75 2dar n ARG 36 N 5.39 0.55 0.00 2.79 5.12 -1.26 -4.03 116.66 125.22 2dar n ARG 36 Ca 0.01 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 2dar n ARG 36 Cb 0.49 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 2dar n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dar n GLY 37 N 1.38 -2.10 3.73 -0.13 0.00 -1.26 -3.50 105.19 103.30 2dar n GLY 37 Ca -0.34 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.34 4.37 0.38 1.61 0.04 -1.26 -4.43 135.00 135.37 2dar s PRO 38 Ca 0.00 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2dar s PRO 38 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 2dar s PRO 38 CO 0.00 -0.31 0.06 -0.59 0.04 0.00 0.00 177.00 176.20 2dar s PHE 39 N 0.45 2.01 -0.10 0.56 -0.12 -0.73 -4.53 117.98 115.53 2dar s PHE 39 Ca 0.59 -0.98 0.02 0.00 -0.05 0.00 0.00 56.93 56.52 2dar s PHE 39 Cb -0.36 -1.39 -0.01 0.00 -0.63 0.00 0.00 43.02 40.62 2dar s PHE 39 CO 0.35 0.05 -0.17 -0.51 -0.05 0.00 0.00 175.22 174.90 2dar s LEU 40 N -3.61 2.53 -0.29 -1.99 1.43 -0.64 -1.12 118.68 114.99 2dar s LEU 40 Ca 0.29 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 2dar s LEU 40 Cb 0.07 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.76 2dar s LEU 40 CO 0.14 0.22 0.08 0.54 0.23 0.00 0.00 176.35 177.55 2dar s VAL 41 N 0.04 3.99 0.16 -1.59 0.11 -1.14 -0.59 120.40 121.36 2dar s VAL 41 Ca -0.06 -0.65 -0.08 0.00 -2.93 0.00 0.00 61.98 58.26 2dar s VAL 41 Cb -0.15 -3.04 -0.01 0.00 -1.53 0.00 0.00 36.38 31.65 2dar s VAL 41 CO 0.05 0.10 0.24 0.00 -3.33 0.00 0.00 175.10 172.16 2dar s ALA 42 N 1.51 0.13 -1.33 1.54 0.00 0.13 -2.63 121.76 121.12 2dar s ALA 42 Ca 0.03 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 2dar s ALA 42 Cb -0.17 0.84 0.14 0.00 0.00 0.00 0.00 23.12 23.94 2dar s ALA 42 CO 0.02 -0.61 0.47 1.28 0.00 0.00 0.00 175.76 176.92 2dar n LEU 43 N -0.19 -0.91 -3.28 0.00 7.99 -1.26 0.81 117.00 120.17 2dar n LEU 43 Ca -0.07 -0.66 -0.21 0.00 -0.01 0.00 0.00 56.01 55.06 2dar n LEU 43 Cb 0.63 -1.64 0.07 0.00 -0.11 0.00 0.00 43.42 42.37 2dar n LEU 43 CO 0.25 0.11 0.21 0.61 -1.51 0.00 0.00 177.39 177.07 2dar n GLY 44 N -1.00 -0.39 3.83 -0.72 0.00 -1.26 -4.98 105.19 100.66 2dar n GLY 44 Ca 0.06 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 2dar n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dar s LYS 45 N -6.10 1.73 0.28 1.61 2.20 0.24 -5.18 119.74 114.53 2dar s LYS 45 Ca 0.48 -1.05 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2dar s LYS 45 Cb -0.21 0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2dar s LYS 45 CO 0.66 -0.80 0.11 -1.54 -0.36 0.00 0.00 175.35 173.42 2dar s SER 46 N -3.08 4.93 0.08 1.43 1.04 -1.26 0.23 113.70 117.07 2dar s SER 46 Ca 0.15 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 2dar s SER 46 Cb -0.04 -1.00 0.07 0.00 0.10 0.00 0.00 66.02 65.15 2dar s SER 46 CO 0.07 -0.11 0.62 0.26 0.98 0.00 0.00 173.24 175.06 2dar s TRP 47 N -2.29 -0.57 0.15 5.02 0.52 0.24 -2.82 118.94 119.19 2dar s TRP 47 Ca 0.34 0.60 -0.30 0.00 0.02 0.00 0.00 56.10 56.76 2dar s TRP 47 Cb -0.06 0.49 -0.07 0.00 -1.15 0.00 0.00 33.47 32.69 2dar s TRP 47 CO 0.23 -0.76 1.03 -1.01 0.02 0.00 0.00 176.95 176.46 2dar s HIS 48 N -2.82 3.72 -1.24 -1.98 3.76 -1.26 -1.63 115.29 113.84 2dar s HIS 48 Ca -0.03 1.71 0.14 0.00 -0.15 0.00 0.00 55.06 56.73 2dar s HIS 48 Cb -0.01 -3.16 0.68 0.00 1.11 0.00 0.00 32.58 31.21 2dar s HIS 48 CO -0.05 -0.18 1.43 -0.35 -0.85 0.00 0.00 174.74 174.75 2dar n PRO 49 N 2.48 0.12 -0.01 8.40 -0.04 -1.26 -0.23 135.00 144.46 2dar n PRO 49 Ca 0.02 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.76 2dar n PRO 49 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.72 -0.11 0.54 0.28 -1.26 -4.60 120.64 114.82 2dar n GLU 50 Ca 0.05 -0.13 -0.17 0.00 -0.16 0.00 0.00 57.16 56.75 2dar n GLU 50 Cb 0.14 -1.38 -0.10 0.00 1.43 0.00 0.00 31.44 31.53 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 -1.95 0.54 -1.46 3.44 1.02 -0.92 -4.93 120.64 116.38 2dar n GLU 51 Ca -0.02 0.15 -0.45 0.00 -0.02 0.00 0.00 57.16 56.82 2dar n GLU 51 Cb 0.41 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.35 0.97 -4.08 -0.32 7.35 0.68 -4.87 117.46 113.84 2dar n PHE 52 Ca -0.40 0.38 -0.09 0.00 -0.76 0.00 0.00 57.45 56.58 2dar n PHE 52 Cb 0.89 -2.43 -0.09 0.00 0.35 0.00 0.00 39.48 38.19 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 8.84 0.33 1.23 -2.13 2.20 -1.26 -1.92 114.94 122.22 2dar s ASN 53 Ca 1.23 -1.05 -0.16 0.00 -0.94 0.00 0.00 52.86 51.94 2dar s ASN 53 Cb -1.04 0.28 0.27 0.00 -2.00 0.00 0.00 41.25 38.76 2dar s ASN 53 CO 0.48 -0.70 0.74 0.00 -2.94 0.00 0.00 177.10 174.68 2dar n ALA 55 N -5.05 2.09 -0.05 0.00 0.00 -1.15 -3.57 120.51 112.78 2dar n ALA 55 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 53.44 52.57 2dar n ALA 55 Cb 0.56 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.60 0.00 1.25 0.00 -0.00 -1.26 -4.59 115.22 108.01 2dar n HIS 56 Ca -0.17 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.69 2dar n HIS 56 Cb 0.87 -0.28 0.69 0.00 -0.00 0.00 0.00 29.99 31.27 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 -1.35 -2.64 -3.92 0.00 4.76 -1.23 -4.87 118.16 108.91 2dar n LYS 58 Ca 0.12 0.32 -0.30 0.00 -2.87 0.00 0.00 58.31 55.57 2dar n LYS 58 Cb 0.26 -4.70 -0.04 0.00 -1.84 0.00 0.00 35.03 28.72 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 -3.74 6.36 -0.16 4.39 0.01 -1.26 -4.48 114.94 116.06 2dar s ASN 59 Ca 0.45 0.26 -0.34 0.00 -0.71 0.00 0.00 52.86 52.52 2dar s ASN 59 Cb -0.25 -1.96 -0.11 0.00 0.41 0.00 0.00 41.25 39.34 2dar s ASN 59 CO 0.94 0.15 1.96 1.07 -1.51 0.00 0.00 177.10 179.70 2dar n THR 60 N 0.15 0.48 -1.77 1.60 5.66 -1.26 0.34 114.28 119.48 2dar n THR 60 Ca -0.05 -0.16 -0.36 0.00 -3.05 0.00 0.00 64.05 60.43 2dar n THR 60 Cb 0.51 -1.87 0.05 0.00 -1.55 0.00 0.00 70.33 67.47 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 7.05 2.85 -0.10 1.09 2.81 -0.81 -4.56 117.12 125.45 2dar n MET 61 Ca 0.27 -3.58 -0.19 0.00 -1.81 0.00 0.00 57.70 52.38 2dar n MET 61 Cb 0.29 -2.28 -0.08 0.00 -0.71 0.00 0.00 33.22 30.44 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 -0.68 0.83 0.02 3.04 0.00 -1.26 -4.65 120.51 117.80 2dar n ALA 62 Ca 0.55 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 2dar n ALA 62 Cb 0.47 -0.22 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 2dar n ALA 62 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2dar h TYR 63 N -1.00 0.52 -3.89 0.00 -1.99 -1.96 -3.44 116.97 105.20 2dar h TYR 63 Ca -0.33 -0.38 -0.44 0.00 2.00 0.00 0.00 58.73 59.58 2dar h TYR 63 Cb 1.19 -0.02 0.16 0.00 2.00 0.00 0.00 36.73 40.06 2dar h TYR 63 CO -0.06 1.66 0.23 0.96 -0.00 0.00 0.00 178.16 180.95 2dar s ILE 64 N -2.53 1.88 0.00 -2.88 -4.36 -1.26 -5.03 121.20 107.03 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 0.05 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.14 2dar s ILE 64 CO 0.78 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.57 2dar n GLY 65 N -1.70 0.52 3.54 6.27 0.00 -1.26 -4.82 105.19 107.75 2dar n GLY 65 Ca 0.09 -1.91 -0.10 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 0.14 -0.36 -0.06 1.61 -0.12 -1.10 -3.94 117.98 114.16 2dar s PHE 66 Ca 0.00 0.44 0.02 0.00 -0.05 0.00 0.00 56.93 57.34 2dar s PHE 66 Cb 0.00 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 2dar s PHE 66 CO 0.00 -0.43 -0.11 0.08 -0.05 0.00 0.00 175.22 174.72 2dar s VAL 67 N -2.03 1.01 -0.23 -2.49 1.01 0.17 -0.19 120.40 117.64 2dar s VAL 67 Ca 0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 2dar s VAL 67 Cb -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2dar s VAL 67 CO -0.03 0.33 0.78 -0.70 0.00 0.00 0.00 175.10 175.48 2dar s GLU 68 N 0.71 4.19 -0.13 2.72 2.12 -1.26 -0.88 118.70 126.18 2dar s GLU 68 Ca -0.14 0.87 -0.10 0.00 0.36 0.00 0.00 54.97 55.96 2dar s GLU 68 Cb -0.16 -3.63 0.04 0.00 0.26 0.00 0.00 34.13 30.64 2dar s GLU 68 CO 0.03 -0.45 0.32 -2.00 -0.54 0.00 0.00 175.26 172.62 2dar s GLU 69 N 2.61 0.34 -1.67 4.30 -6.30 0.95 -4.91 118.70 114.03 2dar s GLU 69 Ca 0.33 0.53 -0.10 0.00 -2.50 0.00 0.00 54.97 53.23 2dar s GLU 69 Cb -0.16 0.08 0.10 0.00 0.00 0.00 0.00 34.13 34.16 2dar s GLU 69 CO 0.08 -0.09 0.26 1.63 0.02 0.00 0.00 175.26 177.16 2dar n LYS 70 N 3.46 -0.84 -3.43 4.30 4.76 -1.26 0.10 118.16 125.25 2dar n LYS 70 Ca -0.18 0.11 -0.20 0.00 -2.87 0.00 0.00 58.31 55.17 2dar n LYS 70 Cb 0.56 -4.01 0.07 0.00 -1.84 0.00 0.00 35.03 29.81 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 -1.89 -0.35 3.26 0.72 0.00 -1.26 -5.01 105.19 100.66 2dar n GLY 71 Ca -0.13 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.29 -0.95 -0.32 4.61 0.00 0.28 -5.14 121.76 116.95 2dar s ALA 72 Ca 0.41 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 2dar s ALA 72 Cb -0.18 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 2dar s ALA 72 CO 0.65 -0.20 0.22 -0.51 0.00 0.00 0.00 175.76 175.91 2dar s LEU 73 N 0.53 4.36 -0.13 0.00 1.43 -1.26 -0.04 118.68 123.58 2dar s LEU 73 Ca -0.03 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2dar s LEU 73 Cb -0.04 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2dar s LEU 73 CO -0.03 -0.20 -0.13 -0.31 0.23 0.00 0.00 176.35 175.91 2dar s TYR 74 N 1.71 2.81 0.60 0.29 2.02 -0.05 -2.95 117.35 121.77 2dar s TYR 74 Ca 0.06 -0.66 -0.18 0.00 -0.37 0.00 0.00 57.07 55.92 2dar s TYR 74 Cb -0.17 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2dar s TYR 74 CO 0.10 -0.22 1.19 0.00 -1.57 0.00 0.00 175.55 175.05 2dar h GLU 76 N 0.76 0.03 -0.38 0.00 4.11 -1.90 0.41 114.58 117.60 2dar h GLU 76 Ca -0.50 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.86 2dar h GLU 76 Cb 1.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2dar h GLU 76 CO 0.55 0.02 -0.04 -0.07 0.07 0.00 0.00 179.01 179.53 2dar h LEU 77 N 0.03 0.70 0.15 3.06 4.07 -1.92 -1.81 115.31 119.59 2dar h LEU 77 Ca 0.59 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 2dar h LEU 77 Cb 2.31 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.86 2dar h LEU 77 CO -0.03 0.87 -0.07 0.00 -1.08 0.00 0.00 178.44 178.13 2dar h TYR 79 N -0.76 -1.29 -0.51 0.00 5.03 -1.25 0.28 116.97 118.47 2dar h TYR 79 Ca -0.02 0.05 0.15 0.00 2.58 0.00 0.00 58.73 61.48 2dar h TYR 79 Cb 0.53 0.57 -0.02 0.00 1.55 0.00 0.00 36.73 39.36 2dar h TYR 79 CO 0.08 -0.51 0.45 1.49 -1.32 0.00 0.00 178.16 178.36 2dar h GLU 80 N -0.57 0.00 0.02 1.82 4.81 -1.43 1.68 114.58 120.91 2dar h GLU 80 Ca 0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2dar h GLU 80 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2dar h GLU 80 CO -0.36 0.00 -0.19 0.87 -0.73 0.00 0.00 179.01 178.60 2dar h LYS 81 N 0.00 0.09 0.00 1.92 1.57 -0.53 -3.03 116.57 116.59 2dar h LYS 81 Ca 0.24 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2dar h LYS 81 Cb 1.14 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2dar h LYS 81 CO -0.00 0.98 -0.20 0.74 -0.57 0.00 0.00 179.45 180.40 2dar h PHE 82 N -0.74 0.00 0.50 -1.35 0.04 0.65 -3.28 116.94 112.76 2dar h PHE 82 Ca -0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2dar h PHE 82 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2dar h PHE 82 CO 0.23 0.00 -0.26 0.74 -0.60 0.00 0.00 178.31 178.42 2dar h PHE 83 N -0.88 -0.69 -0.58 -0.55 -1.00 0.22 -3.12 116.94 110.34 2dar h PHE 83 Ca 0.00 -0.01 -0.51 0.00 2.81 0.00 0.00 57.97 60.26 2dar h PHE 83 Cb 0.20 0.23 -0.09 0.00 3.61 0.00 0.00 35.95 39.90 2dar h PHE 83 CO -0.09 -0.41 1.35 0.00 -1.61 0.00 0.00 178.31 177.56 2dar n ALA 84 N -2.39 6.75 -0.92 2.45 0.00 -0.88 -4.71 120.51 120.82 2dar n ALA 84 Ca -0.09 -3.06 -0.12 0.00 0.00 0.00 0.00 53.44 50.17 2dar n ALA 84 Cb 0.28 -2.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 2dar n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dar n SER 85 N 2.06 5.77 0.00 0.00 3.41 -1.18 -4.48 113.62 119.20 2dar n SER 85 Ca 0.57 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 2dar n SER 85 Cb 0.52 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2dar n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dar n GLY 86 N 1.43 0.73 3.77 5.00 0.00 -1.26 -5.07 105.19 109.79 2dar n GLY 86 Ca 0.28 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.26 3.42 -0.76 1.61 0.04 -1.26 -4.95 135.00 131.84 2dar s PRO 87 Ca 0.00 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 2dar s PRO 87 Cb 0.00 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2dar s PRO 87 CO 0.00 -0.80 1.40 0.45 0.04 0.00 0.00 177.00 178.09 2dar s SER 88 N -1.71 6.05 -1.43 6.66 0.15 -1.26 -3.81 113.70 118.34 2dar s SER 88 Ca 0.71 -0.48 -0.10 0.00 0.70 0.00 0.00 55.95 56.79 2dar s SER 88 Cb -0.24 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2dar s SER 88 CO 0.28 -1.90 1.01 -0.24 1.20 0.00 0.00 173.24 173.59 2dar n SER 89 N 9.91 -4.64 -0.50 5.45 2.88 -1.26 -5.27 113.62 120.18 2dar n SER 89 Ca 0.10 -0.70 0.06 0.00 -1.33 0.00 0.00 58.87 57.00 2dar n SER 89 Cb 0.50 -4.33 0.05 0.00 -0.75 0.00 0.00 64.21 59.68 2dar n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42