#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 s LYS 2 N 0.00 0.31 0.05 1.96 2.20 -1.26 -5.15 119.74 117.84 1x60 s LYS 2 Ca 0.00 0.71 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 1x60 s LYS 2 Cb 0.00 -0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.16 1x60 s LYS 2 CO 0.00 -0.47 0.38 0.21 -0.36 0.00 0.00 175.35 175.12 1x60 s LYS 3 N 2.54 0.90 0.62 4.03 2.20 -1.26 -5.17 119.74 123.60 1x60 s LYS 3 Ca 0.06 -0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.14 1x60 s LYS 3 Cb -0.14 0.40 0.15 0.00 -1.51 0.00 0.00 37.83 36.73 1x60 s LYS 3 CO -0.14 -0.31 0.56 0.25 -0.36 0.00 0.00 175.35 175.35 1x60 n THR 4 N 0.46 0.00 -1.98 3.43 -2.24 -1.26 -4.82 114.28 107.88 1x60 n THR 4 Ca -0.18 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 1x60 n THR 4 Cb 0.60 -1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 1x60 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x60 n SER 5 N -3.93 3.01 -4.01 3.42 2.88 -1.26 -4.84 113.62 108.89 1x60 n SER 5 Ca 0.08 -2.70 -0.32 0.00 -1.33 0.00 0.00 58.87 54.61 1x60 n SER 5 Cb 0.30 -1.68 -0.14 0.00 -0.75 0.00 0.00 64.21 61.93 1x60 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x60 s SER 6 N 6.35 4.69 -0.05 -3.46 0.01 -1.26 -4.87 113.70 115.12 1x60 s SER 6 Ca 0.68 -2.49 0.01 0.00 1.31 0.00 0.00 55.95 55.46 1x60 s SER 6 Cb 0.01 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 1x60 s SER 6 CO 0.14 -0.34 -0.03 -1.54 0.41 0.00 0.00 173.24 171.87 1x60 n SER 7 N 3.84 3.72 -5.00 2.44 3.41 -1.26 -5.06 113.62 115.71 1x60 n SER 7 Ca 0.04 -0.02 -0.18 0.00 -0.26 0.00 0.00 58.87 58.45 1x60 n SER 7 Cb 0.38 0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1x60 n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x60 s GLY 8 N -4.26 1.90 -0.05 5.00 0.00 -1.26 -4.23 107.32 104.43 1x60 s GLY 8 Ca -0.06 -1.64 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 1x60 s GLY 8 CO 0.12 -1.41 0.14 1.08 0.00 0.00 0.00 173.10 173.03 1x60 s LEU 9 N -4.47 1.47 -0.44 0.66 1.43 0.23 -4.89 118.68 112.67 1x60 s LEU 9 Ca 0.56 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 1x60 s LEU 9 Cb -0.10 0.50 0.06 0.00 0.03 0.00 0.00 46.19 46.68 1x60 s LEU 9 CO 0.35 -0.08 0.33 -0.31 0.23 0.00 0.00 176.35 176.87 1x60 s TYR 10 N -0.07 3.26 0.17 0.29 2.02 -0.84 -0.38 117.35 121.81 1x60 s TYR 10 Ca -0.01 -0.98 0.09 0.00 -0.37 0.00 0.00 57.07 55.79 1x60 s TYR 10 Cb -0.02 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 1x60 s TYR 10 CO 0.00 -0.75 -0.18 0.15 -1.57 0.00 0.00 175.55 173.20 1x60 s LYS 11 N 1.60 1.30 -0.05 -0.62 1.02 -1.02 -1.14 119.74 120.83 1x60 s LYS 11 Ca 0.04 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1x60 s LYS 11 Cb -0.22 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.71 1x60 s LYS 11 CO 0.06 0.27 -0.03 0.08 -0.92 0.00 0.00 175.35 174.82 1x60 s VAL 12 N -2.11 4.03 -0.03 3.17 1.01 -0.20 -1.33 120.40 124.94 1x60 s VAL 12 Ca 0.17 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1x60 s VAL 12 Cb -0.05 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1x60 s VAL 12 CO 0.07 0.52 -0.06 -1.58 0.00 0.00 0.00 175.10 174.06 1x60 s GLN 13 N -1.09 0.71 0.00 2.72 0.74 0.21 0.13 119.66 123.08 1x60 s GLN 13 Ca 0.15 -0.17 0.14 0.00 0.05 0.00 0.00 55.36 55.52 1x60 s GLN 13 Cb -0.11 -0.71 -0.02 0.00 1.10 0.00 0.00 33.01 33.28 1x60 s GLN 13 CO 0.05 0.03 0.76 0.44 -0.55 0.00 0.00 175.29 176.01 1x60 n ILE 14 N 3.52 0.00 0.00 -2.34 -0.00 -0.77 0.24 119.36 120.00 1x60 n ILE 14 Ca -0.20 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 1x60 n ILE 14 Cb 0.54 1.15 0.00 0.00 -0.00 0.00 0.00 39.64 41.33 1x60 n ILE 14 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1x60 n GLY 15 N 1.07 1.36 3.29 3.28 0.00 -1.23 -4.53 105.19 108.43 1x60 n GLY 15 Ca 0.05 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1x60 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 16 N -2.00 -0.97 0.00 4.61 0.00 -1.26 0.31 121.76 122.45 1x60 s ALA 16 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1x60 s ALA 16 Cb 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1x60 s ALA 16 CO 0.00 -0.24 0.38 -0.06 0.00 0.00 0.00 175.76 175.84 1x60 s PHE 17 N -0.62 -0.25 -0.10 0.00 0.40 0.31 -4.90 117.98 112.82 1x60 s PHE 17 Ca -0.07 0.32 0.25 0.00 -0.60 0.00 0.00 56.93 56.83 1x60 s PHE 17 Cb -0.04 0.16 1.32 0.00 0.51 0.00 0.00 43.02 44.98 1x60 s PHE 17 CO 0.03 -0.47 1.75 -0.22 0.70 0.00 0.00 175.22 177.02 1x60 h LYS 18 N 3.49 0.00 -5.24 0.44 3.64 -1.84 0.65 116.57 117.72 1x60 h LYS 18 Ca -0.30 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.45 1x60 h LYS 18 Cb 1.18 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.81 1x60 h LYS 18 CO 0.41 0.00 -0.62 0.08 -2.27 0.00 0.00 179.45 177.06 1x60 s VAL 19 N -3.62 4.33 0.13 2.00 1.01 -1.26 -4.64 120.40 118.35 1x60 s VAL 19 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1x60 s VAL 19 Cb 0.07 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1x60 s VAL 19 CO 0.23 0.46 1.44 0.50 0.00 0.00 0.00 175.10 177.73 1x60 h LYS 20 N 6.93 0.89 -0.64 2.72 3.64 -1.95 -2.13 116.57 126.03 1x60 h LYS 20 Ca -0.35 -0.50 0.13 0.00 -1.27 0.00 0.00 60.65 58.66 1x60 h LYS 20 Cb 1.18 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1x60 h LYS 20 CO 0.65 1.14 0.43 0.00 -2.27 0.00 0.00 179.45 179.41 1x60 h ALA 21 N 0.73 2.15 0.00 5.00 0.00 -1.96 0.53 119.26 125.71 1x60 h ALA 21 Ca 0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1x60 h ALA 21 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1x60 h ALA 21 CO 0.10 -0.31 -0.90 -0.91 0.00 0.00 0.00 179.25 177.23 1x60 h ASN 22 N 0.32 0.35 1.03 0.00 4.21 -1.89 -2.55 115.58 117.05 1x60 h ASN 22 Ca 0.30 -0.28 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 1x60 h ASN 22 Cb 0.75 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1x60 h ASN 22 CO -0.08 1.08 -0.16 0.00 -1.29 0.00 0.00 177.43 176.98 1x60 h ALA 23 N 0.89 1.00 0.18 -0.83 0.00 0.50 -2.64 119.26 118.37 1x60 h ALA 23 Ca -0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 1x60 h ALA 23 Cb 1.53 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.31 1x60 h ALA 23 CO 0.14 0.20 -1.39 -0.44 0.00 0.00 0.00 179.25 177.77 1x60 h ASP 24 N 0.00 0.60 -0.52 0.00 3.32 -0.24 -2.63 116.42 116.94 1x60 h ASP 24 Ca -0.00 -0.67 -0.08 0.00 0.02 0.00 0.00 57.03 56.30 1x60 h ASP 24 Cb 0.72 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1x60 h ASP 24 CO 0.02 1.53 0.02 -1.28 -1.72 0.00 0.00 179.24 177.81 1x60 h SER 25 N 0.10 0.92 -0.16 6.45 0.87 -1.33 -1.75 113.55 118.67 1x60 h SER 25 Ca -0.20 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1x60 h SER 25 Cb 2.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1x60 h SER 25 CO 0.23 0.97 -0.02 0.25 -0.53 0.00 0.00 176.83 177.73 1x60 h LEU 26 N 0.88 0.29 -2.41 2.23 5.85 -1.54 -2.16 115.31 118.45 1x60 h LEU 26 Ca 0.17 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1x60 h LEU 26 Cb 0.49 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1x60 h LEU 26 CO 0.02 0.56 -0.01 0.00 -0.34 0.00 0.00 178.44 178.68 1x60 h ALA 27 N 0.73 1.55 -0.03 1.25 0.00 -1.31 -1.77 119.26 119.69 1x60 h ALA 27 Ca 0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1x60 h ALA 27 Cb 0.43 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x60 h ALA 27 CO 0.01 0.01 -0.94 1.03 0.00 0.00 0.00 179.25 179.36 1x60 h SER 28 N 0.00 0.88 -0.16 0.00 0.87 -0.92 -2.51 113.55 111.71 1x60 h SER 28 Ca -0.00 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 1x60 h SER 28 Cb 0.02 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1x60 h SER 28 CO 0.00 1.48 0.10 -0.55 -0.53 0.00 0.00 176.83 177.33 1x60 h ASN 29 N 0.37 0.18 -0.73 6.23 -1.07 -0.69 -2.29 115.58 117.58 1x60 h ASN 29 Ca -0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.21 1x60 h ASN 29 Cb 1.59 -0.05 -0.03 0.00 -2.07 0.00 0.00 38.32 37.76 1x60 h ASN 29 CO 0.19 0.15 0.34 0.00 0.07 0.00 0.00 177.43 178.17 1x60 h ALA 30 N 1.05 1.18 -0.84 4.14 0.00 -1.57 -2.04 119.26 121.19 1x60 h ALA 30 Ca 0.06 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 30 Cb -0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 1x60 h ALA 30 CO -0.01 0.61 0.54 1.49 0.00 0.00 0.00 179.25 181.88 1x60 h GLU 31 N 1.07 0.66 -0.35 0.00 4.81 -0.96 -0.99 114.58 118.82 1x60 h GLU 31 Ca 0.26 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1x60 h GLU 31 Cb 0.14 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1x60 h GLU 31 CO -0.03 0.43 0.04 0.00 -0.73 0.00 0.00 179.01 178.72 1x60 h ALA 32 N 1.60 0.34 0.00 2.92 0.00 -0.83 0.26 119.26 123.55 1x60 h ALA 32 Ca 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x60 h ALA 32 Cb 0.62 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1x60 h ALA 32 CO -0.17 -0.37 -0.09 0.87 0.00 0.00 0.00 179.25 179.49 1x60 h LYS 33 N 0.14 0.00 0.00 0.00 1.79 -1.23 -3.45 116.57 113.81 1x60 h LYS 33 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1x60 h LYS 33 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1x60 h LYS 33 CO -0.25 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.63 1x60 n GLY 34 N -1.14 1.89 3.95 3.86 0.00 0.90 -5.13 105.19 109.51 1x60 n GLY 34 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1x60 n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 35 N -2.00 3.45 -0.81 1.61 0.08 -0.96 -4.99 117.98 114.36 1x60 s PHE 35 Ca 0.00 0.06 -0.22 0.00 0.12 0.00 0.00 56.93 56.88 1x60 s PHE 35 Cb 0.00 -1.62 0.08 0.00 -0.57 0.00 0.00 43.02 40.91 1x60 s PHE 35 CO 0.00 0.49 1.14 0.34 -0.10 0.00 0.00 175.22 177.09 1x60 s ASP 36 N -3.52 6.36 0.54 1.36 2.15 -1.26 -4.04 116.67 118.25 1x60 s ASP 36 Ca 0.34 -1.29 -0.15 0.00 0.43 0.00 0.00 52.55 51.88 1x60 s ASP 36 Cb -0.10 -2.46 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1x60 s ASP 36 CO 0.28 -1.41 0.99 -0.94 -0.17 0.00 0.00 175.17 173.92 1x60 s SER 37 N 3.91 6.52 -0.21 -0.34 1.04 -1.26 -2.00 113.70 121.37 1x60 s SER 37 Ca 0.31 1.52 -0.19 0.00 0.48 0.00 0.00 55.95 58.07 1x60 s SER 37 Cb -0.09 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.59 1x60 s SER 37 CO 0.02 -0.65 0.56 -0.51 0.98 0.00 0.00 173.24 173.63 1x60 s ILE 38 N -2.75 -0.00 -0.22 -1.02 2.07 0.98 -4.95 121.20 115.30 1x60 s ILE 38 Ca 0.58 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1x60 s ILE 38 Cb -0.10 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.74 1x60 s ILE 38 CO 0.37 0.00 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.58 1x60 s VAL 39 N 0.31 2.44 -0.12 4.00 1.01 -1.25 -1.01 120.40 125.78 1x60 s VAL 39 Ca -0.00 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1x60 s VAL 39 Cb -0.04 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1x60 s VAL 39 CO 0.01 0.30 -0.20 -0.22 0.00 0.00 0.00 175.10 174.99 1x60 s LEU 40 N 1.27 2.31 -0.31 3.92 2.96 -0.77 -4.89 118.68 123.17 1x60 s LEU 40 Ca 0.01 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 1x60 s LEU 40 Cb -0.16 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1x60 s LEU 40 CO -0.08 0.14 0.59 -0.22 -1.32 0.00 0.00 176.35 175.46 1x60 s LEU 41 N 0.47 4.18 -0.02 -0.68 2.96 -1.26 -0.29 118.68 124.04 1x60 s LEU 41 Ca -0.13 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1x60 s LEU 41 Cb -0.17 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 1x60 s LEU 41 CO 0.05 -0.46 0.00 -1.59 -1.32 0.00 0.00 176.35 173.04 1x60 s LYS 42 N 2.53 2.82 0.00 1.98 0.00 0.25 -4.91 119.74 122.41 1x60 s LYS 42 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 55.97 55.63 1x60 s LYS 42 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 37.83 34.99 1x60 s LYS 42 CO 0.12 0.64 0.00 -0.25 0.00 0.00 0.00 175.35 175.86 1x60 n ASP 43 N 1.53 0.00 -0.23 0.03 9.92 -1.26 0.17 116.55 126.71 1x60 n ASP 43 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1x60 n ASP 43 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x60 n GLY 44 N 0.00 -1.21 3.49 0.44 0.00 -1.26 -5.10 105.19 101.55 1x60 n GLY 44 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1x60 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 45 N 0.00 2.68 -0.08 0.99 1.43 0.45 -4.56 118.68 119.60 1x60 s LEU 45 Ca 0.00 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1x60 s LEU 45 Cb 0.00 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1x60 s LEU 45 CO 0.00 0.06 -0.18 -0.31 0.23 0.00 0.00 176.35 176.15 1x60 s TYR 46 N -2.23 2.64 0.08 0.29 1.51 0.23 0.85 117.35 120.71 1x60 s TYR 46 Ca 0.28 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 1x60 s TYR 46 Cb -0.06 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1x60 s TYR 46 CO 0.15 -0.07 0.01 0.15 -1.11 0.00 0.00 175.55 174.68 1x60 s LYS 47 N -0.23 2.61 -0.33 -0.62 3.01 0.60 0.12 119.74 124.90 1x60 s LYS 47 Ca -0.00 -0.80 0.03 0.00 -1.01 0.00 0.00 55.97 54.19 1x60 s LYS 47 Cb -0.13 -2.57 0.10 0.00 -1.01 0.00 0.00 37.83 34.21 1x60 s LYS 47 CO 0.03 0.55 0.05 0.08 0.51 0.00 0.00 175.35 176.57 1x60 s VAL 48 N -1.30 2.04 -0.06 3.17 1.01 0.15 -1.85 120.40 123.56 1x60 s VAL 48 Ca 0.25 -2.16 -0.02 0.00 0.00 0.00 0.00 61.98 60.06 1x60 s VAL 48 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1x60 s VAL 48 CO 0.18 -0.59 0.06 -1.58 0.00 0.00 0.00 175.10 173.17 1x60 s GLN 49 N 1.03 3.09 -0.07 2.72 0.74 -0.18 -1.85 119.66 125.15 1x60 s GLN 49 Ca 0.10 -0.39 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 1x60 s GLN 49 Cb -0.19 -2.89 0.03 0.00 1.10 0.00 0.00 33.01 31.06 1x60 s GLN 49 CO -0.11 0.70 -0.01 0.96 -0.55 0.00 0.00 175.29 176.28 1x60 s ILE 50 N -1.03 0.44 0.00 -2.34 -5.25 0.34 -0.01 121.20 113.35 1x60 s ILE 50 Ca 0.17 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.87 1x60 s ILE 50 Cb -0.12 -0.56 0.00 0.00 2.95 0.00 0.00 42.46 44.74 1x60 s ILE 50 CO 0.07 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.08 1x60 n GLY 51 N 4.82 -2.49 2.96 6.27 0.00 -0.85 -3.23 105.19 112.68 1x60 n GLY 51 Ca -0.13 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 1x60 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 52 N 0.00 1.51 0.24 4.61 0.00 -1.26 -1.03 121.76 125.82 1x60 s ALA 52 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1x60 s ALA 52 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1x60 s ALA 52 CO 0.00 -0.35 0.20 -0.06 0.00 0.00 0.00 175.76 175.55 1x60 s PHE 53 N 1.52 1.23 -0.60 0.00 0.40 -0.29 -5.01 117.98 115.23 1x60 s PHE 53 Ca 0.03 -1.39 0.25 0.00 -0.60 0.00 0.00 56.93 55.21 1x60 s PHE 53 Cb -0.13 -0.52 0.48 0.00 0.51 0.00 0.00 43.02 43.37 1x60 s PHE 53 CO -0.08 -0.74 1.51 0.77 0.70 0.00 0.00 175.22 177.39 1x60 h SER 54 N 2.47 0.00 -3.34 1.36 0.02 -1.95 -2.23 113.55 109.88 1x60 h SER 54 Ca -0.33 -0.08 -0.65 0.00 -0.84 0.00 0.00 61.79 59.90 1x60 h SER 54 Cb 1.25 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.54 1x60 h SER 54 CO 0.48 0.04 -0.72 -0.44 -1.14 0.00 0.00 176.83 175.05 1x60 s SER 55 N -4.79 4.38 0.37 3.07 0.01 -1.26 -4.67 113.70 110.81 1x60 s SER 55 Ca 0.07 -0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.16 1x60 s SER 55 Cb 0.11 -1.71 0.84 0.00 0.21 0.00 0.00 66.02 65.48 1x60 s SER 55 CO 0.67 0.12 1.90 0.50 0.41 0.00 0.00 173.24 176.84 1x60 h LYS 56 N 7.05 0.64 -0.70 12.44 3.11 -1.89 0.23 116.57 137.44 1x60 h LYS 56 Ca -0.32 -0.04 0.20 0.00 -2.81 0.00 0.00 60.65 57.69 1x60 h LYS 56 Cb 1.19 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.25 1x60 h LYS 56 CO 0.59 0.42 0.51 0.22 -2.81 0.00 0.00 179.45 178.38 1x60 h ASP 57 N 0.66 0.00 -0.01 4.20 3.58 -1.98 0.37 116.42 123.24 1x60 h ASP 57 Ca 0.41 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.85 1x60 h ASP 57 Cb 0.65 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1x60 h ASP 57 CO -0.17 0.00 -0.02 0.78 -2.88 0.00 0.00 179.24 176.95 1x60 h ASN 58 N 0.00 0.04 -0.84 2.28 4.21 -1.33 -2.54 115.58 117.40 1x60 h ASN 58 Ca 0.33 -0.59 -0.01 0.00 1.21 0.00 0.00 56.30 57.24 1x60 h ASN 58 Cb 1.34 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 38.49 1x60 h ASN 58 CO -0.00 0.62 0.47 0.00 -1.29 0.00 0.00 177.43 177.23 1x60 h ALA 59 N 0.42 1.08 0.07 -0.83 0.00 -1.18 -1.90 119.26 116.92 1x60 h ALA 59 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x60 h ALA 59 Cb 0.62 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1x60 h ALA 59 CO 0.01 0.57 -0.03 -0.44 0.00 0.00 0.00 179.25 179.35 1x60 h ASP 60 N 1.17 -0.08 -0.72 0.00 3.32 -1.03 0.28 116.42 119.36 1x60 h ASP 60 Ca 0.30 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.38 1x60 h ASP 60 Cb 0.01 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1x60 h ASP 60 CO -0.05 -0.05 0.47 0.74 -1.72 0.00 0.00 179.24 178.64 1x60 h THR 61 N -0.11 1.08 0.00 0.35 2.02 -1.25 -0.92 112.91 114.08 1x60 h THR 61 Ca -0.01 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1x60 h THR 61 Cb 0.08 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1x60 h THR 61 CO 0.02 0.15 -0.00 0.25 0.37 0.00 0.00 175.52 176.31 1x60 h LEU 62 N 0.83 -0.00 0.34 2.58 7.12 -0.90 -2.41 115.31 122.87 1x60 h LEU 62 Ca 0.29 -0.46 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 1x60 h LEU 62 Cb 0.13 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.23 1x60 h LEU 62 CO -0.09 0.46 -0.49 0.00 -0.13 0.00 0.00 178.44 178.19 1x60 h ALA 63 N 0.53 -1.01 -0.83 1.25 0.00 0.09 0.68 119.26 119.96 1x60 h ALA 63 Ca -0.00 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1x60 h ALA 63 Cb 0.46 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.00 -1.12 0.54 0.00 0.00 0.00 0.00 179.25 178.67 1x60 h ALA 64 N -0.62 1.91 -0.70 0.00 0.00 -1.28 0.93 119.26 119.51 1x60 h ALA 64 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1x60 h ALA 64 Cb 0.80 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1x60 h ALA 64 CO -0.15 -0.13 0.23 -0.09 0.00 0.00 0.00 179.25 179.11 1x60 h ARG 65 N 0.61 1.08 -0.71 0.00 2.43 -0.79 -0.08 114.38 116.92 1x60 h ARG 65 Ca 0.41 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1x60 h ARG 65 Cb 0.72 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1x60 h ARG 65 CO -0.17 0.93 0.22 0.00 -1.51 0.00 0.00 179.97 179.44 1x60 h ALA 66 N 1.11 1.06 -0.28 2.80 0.00 0.14 0.79 119.26 124.87 1x60 h ALA 66 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 66 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x60 h ALA 66 CO -0.01 0.64 0.13 0.87 0.00 0.00 0.00 179.25 180.88 1x60 h LYS 67 N 1.05 0.41 0.00 0.00 1.57 0.04 1.37 116.57 121.01 1x60 h LYS 67 Ca 0.23 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1x60 h LYS 67 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1x60 h LYS 67 CO -0.01 0.41 -0.29 -0.97 -0.57 0.00 0.00 179.45 178.02 1x60 h ASN 68 N 0.31 0.00 1.47 0.86 -1.24 -0.60 -2.42 115.58 113.97 1x60 h ASN 68 Ca 0.10 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 1x60 h ASN 68 Cb 0.14 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1x60 h ASN 68 CO -0.01 0.29 -0.19 0.00 -1.29 0.00 0.00 177.43 176.23 1x60 h ALA 69 N 1.71 0.92 0.00 1.57 0.00 0.15 -3.47 119.26 120.15 1x60 h ALA 69 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x60 h ALA 69 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x60 h ALA 69 CO 0.04 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1x60 n GLY 70 N 0.76 1.72 3.16 0.00 0.00 0.26 -5.04 105.19 106.04 1x60 n GLY 70 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1x60 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 71 N -2.00 1.23 -1.21 1.61 0.08 0.45 -4.98 117.98 113.15 1x60 s PHE 71 Ca 0.00 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.71 0.20 0.00 -0.57 0.00 0.00 43.02 41.94 1x60 s PHE 71 CO 0.00 0.05 1.59 -3.47 -0.10 0.00 0.00 175.22 173.30 1x60 n ASP 72 N 1.48 5.36 -4.80 1.36 -0.08 -1.26 -1.38 116.55 117.22 1x60 n ASP 72 Ca -0.20 -3.10 -0.38 0.00 -1.51 0.00 0.00 54.79 49.61 1x60 n ASP 72 Cb 0.54 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.47 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x60 s ALA 73 N 0.22 3.46 0.13 -1.67 0.00 -1.26 -4.06 121.76 118.59 1x60 s ALA 73 Ca 0.39 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1x60 s ALA 73 Cb 0.03 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1x60 s ALA 73 CO 0.01 0.33 -0.06 0.96 0.00 0.00 0.00 175.76 177.00 1x60 s ILE 74 N -1.31 0.86 -0.07 0.00 -4.36 0.14 -4.63 121.20 111.82 1x60 s ILE 74 Ca 0.38 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1x60 s ILE 74 Cb -0.20 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 1x60 s ILE 74 CO 0.23 -0.74 -0.12 -0.69 0.24 0.00 0.00 174.94 173.85 1x60 s VAL 75 N -3.52 3.24 -0.00 8.37 1.01 -1.26 0.63 120.40 128.86 1x60 s VAL 75 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1x60 s VAL 75 Cb 0.05 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1x60 s VAL 75 CO -0.01 0.58 -0.01 0.27 0.00 0.00 0.00 175.10 175.93 1x60 s ILE 76 N -0.49 0.05 -0.51 2.22 -4.36 -0.44 -5.00 121.20 112.67 1x60 s ILE 76 Ca 0.07 -0.03 -0.20 0.00 -0.26 0.00 0.00 60.65 60.22 1x60 s ILE 76 Cb -0.12 -0.05 0.05 0.00 1.25 0.00 0.00 42.46 43.59 1x60 s ILE 76 CO 0.02 0.01 0.69 -0.22 0.24 0.00 0.00 174.94 175.68 1x60 s LEU 77 N -0.03 4.76 -0.25 0.37 2.96 -1.25 -2.42 118.68 122.81 1x60 s LEU 77 Ca 0.00 -0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 53.01 1x60 s LEU 77 Cb -0.00 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1x60 s LEU 77 CO -0.00 -0.96 0.32 -1.61 -1.32 0.00 0.00 176.35 172.78 1x60 s GLU 78 N 2.92 4.04 0.00 1.98 2.02 0.49 -4.76 118.70 125.40 1x60 s GLU 78 Ca 0.19 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1x60 s GLU 78 Cb -0.18 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1x60 s GLU 78 CO 0.14 -0.17 0.46 0.43 0.02 0.00 0.00 175.26 176.14