#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 0.35 0.00 1.96 2.20 -1.26 -5.08 119.74 117.91 1x60 s LYS 2 Ca 0.00 0.08 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1x60 s LYS 2 Cb 0.00 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1x60 s LYS 2 CO 0.00 -0.56 0.84 0.87 -0.36 0.00 0.00 175.35 176.13 1x60 h LYS 3 N 6.77 -0.09 -4.86 4.03 1.79 -2.14 -3.49 116.57 118.58 1x60 h LYS 3 Ca -0.04 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1x60 h LYS 3 Cb 1.20 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.76 1x60 h LYS 3 CO -0.01 -0.06 -1.45 2.41 -1.08 0.00 0.00 179.45 179.26 1x60 n THR 4 N -2.31-12.78 0.00 -0.16 -1.04 -1.26 -5.04 114.28 91.69 1x60 n THR 4 Ca -0.01 2.80 0.00 0.00 -2.04 0.00 0.00 64.05 64.80 1x60 n THR 4 Cb 0.04 -6.39 0.00 0.00 -1.82 0.00 0.00 70.33 62.16 1x60 n THR 4 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1x60 n SER 5 N 1.68 0.00 -3.77 8.00 2.88 -1.26 -5.14 113.62 116.00 1x60 n SER 5 Ca -0.34 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.23 1x60 n SER 5 Cb 0.52 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 1x60 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x60 s SER 6 N -4.09 -0.01 -0.17 -3.46 1.04 -1.26 -5.06 113.70 100.69 1x60 s SER 6 Ca 0.00 -0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.06 1x60 s SER 6 Cb 0.00 0.09 -0.23 0.00 0.10 0.00 0.00 66.02 65.98 1x60 s SER 6 CO 0.00 -0.18 0.56 -1.28 0.98 0.00 0.00 173.24 173.32 1x60 h SER 7 N 2.00 0.00 0.00 7.02 0.87 -1.96 -3.49 113.55 117.99 1x60 h SER 7 Ca -0.26 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.49 1x60 h SER 7 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1x60 h SER 7 CO 0.30 1.18 0.00 0.61 -0.53 0.00 0.00 176.83 178.39 1x60 n GLY 8 N 1.55 5.20 3.03 5.77 0.00 -1.26 -4.68 105.19 114.80 1x60 n GLY 8 Ca -0.18 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1x60 n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 9 N 0.00 1.46 -0.44 0.99 1.43 0.28 -4.86 118.68 117.53 1x60 s LEU 9 Ca 0.00 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1x60 s LEU 9 Cb 0.00 0.50 0.06 0.00 0.03 0.00 0.00 46.19 46.78 1x60 s LEU 9 CO 0.00 -0.07 0.33 -0.31 0.23 0.00 0.00 176.35 176.53 1x60 s TYR 10 N -0.02 3.26 0.12 0.29 2.02 -0.81 -0.45 117.35 121.76 1x60 s TYR 10 Ca -0.01 -0.93 0.07 0.00 -0.37 0.00 0.00 57.07 55.82 1x60 s TYR 10 Cb -0.01 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 1x60 s TYR 10 CO 0.00 -0.74 -0.16 0.15 -1.57 0.00 0.00 175.55 173.23 1x60 s LYS 11 N 1.61 1.07 -0.10 -0.62 1.02 -1.02 -0.93 119.74 120.78 1x60 s LYS 11 Ca 0.04 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.77 1x60 s LYS 11 Cb -0.22 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.98 1x60 s LYS 11 CO 0.07 0.22 0.02 0.08 -0.92 0.00 0.00 175.35 174.82 1x60 s VAL 12 N -1.86 4.50 -0.02 3.17 1.01 -0.15 -1.38 120.40 125.67 1x60 s VAL 12 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1x60 s VAL 12 Cb -0.06 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1x60 s VAL 12 CO 0.04 0.60 -0.12 -1.58 0.00 0.00 0.00 175.10 174.04 1x60 s GLN 13 N -0.81 1.12 0.00 2.72 0.74 0.17 0.12 119.66 123.71 1x60 s GLN 13 Ca 0.13 -0.41 0.11 0.00 0.05 0.00 0.00 55.36 55.23 1x60 s GLN 13 Cb -0.12 -1.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.92 1x60 s GLN 13 CO 0.02 0.20 0.62 0.44 -0.55 0.00 0.00 175.29 176.02 1x60 n ILE 14 N 3.05 0.00 0.00 -2.34 -0.00 -0.69 0.44 119.36 119.81 1x60 n ILE 14 Ca -0.16 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.55 1.09 0.00 0.00 -0.00 0.00 0.00 39.64 41.28 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 1.04 0.58 3.30 3.28 0.00 -1.23 -4.50 105.19 107.65 1x60 n GLY 15 Ca 0.04 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.99 -0.99 -0.05 4.61 0.00 -1.26 -0.21 121.76 121.87 1x60 s ALA 16 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 1x60 s ALA 16 Cb 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1x60 s ALA 16 CO 0.00 -0.24 0.45 -0.06 0.00 0.00 0.00 175.76 175.91 1x60 s PHE 17 N -0.60 -0.38 0.27 0.00 0.40 0.30 -4.91 117.98 113.05 1x60 s PHE 17 Ca -0.07 0.70 0.25 0.00 -0.60 0.00 0.00 56.93 57.21 1x60 s PHE 17 Cb -0.04 0.20 1.38 0.00 0.51 0.00 0.00 43.02 45.08 1x60 s PHE 17 CO 0.03 -0.43 1.75 -0.22 0.70 0.00 0.00 175.22 177.05 1x60 h LYS 18 N 3.88 0.00 -5.30 0.44 3.64 -1.84 0.69 116.57 118.09 1x60 h LYS 18 Ca -0.28 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.46 1x60 h LYS 18 Cb 1.17 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.77 1x60 h LYS 18 CO 0.36 0.00 -0.66 0.08 -2.27 0.00 0.00 179.45 176.96 1x60 s VAL 19 N -3.75 3.96 0.13 2.00 1.01 -1.26 -4.61 120.40 117.88 1x60 s VAL 19 Ca -0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1x60 s VAL 19 Cb 0.07 -2.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 1x60 s VAL 19 CO 0.23 0.49 1.35 0.50 0.00 0.00 0.00 175.10 177.67 1x60 h LYS 20 N 6.70 0.61 -0.78 2.72 3.64 -1.93 -2.68 116.57 124.86 1x60 h LYS 20 Ca -0.32 -0.52 0.13 0.00 -1.27 0.00 0.00 60.65 58.68 1x60 h LYS 20 Cb 1.19 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1x60 h LYS 20 CO 0.63 1.14 0.51 0.00 -2.27 0.00 0.00 179.45 179.46 1x60 h ALA 21 N 0.71 1.95 -0.04 5.00 0.00 -1.95 0.74 119.26 125.67 1x60 h ALA 21 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 21 Cb 1.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1x60 h ALA 21 CO 0.15 -0.15 -0.67 -0.91 0.00 0.00 0.00 179.25 177.68 1x60 h ASN 22 N 0.56 0.21 1.34 0.00 4.21 -1.92 -2.57 115.58 117.40 1x60 h ASN 22 Ca 0.38 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.76 1x60 h ASN 22 Cb 0.69 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1x60 h ASN 22 CO -0.14 0.81 -0.00 0.00 -1.29 0.00 0.00 177.43 176.81 1x60 h ALA 23 N 1.18 1.00 0.17 -0.83 0.00 0.64 -2.53 119.26 118.90 1x60 h ALA 23 Ca -0.01 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1x60 h ALA 23 Cb 1.19 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1x60 h ALA 23 CO 0.10 0.00 -1.47 0.22 0.00 0.00 0.00 179.25 178.09 1x60 h ASP 24 N 0.00 0.56 -0.06 0.00 1.82 -0.12 -2.69 116.42 115.94 1x60 h ASP 24 Ca -0.00 -0.68 -0.13 0.00 -0.39 0.00 0.00 57.03 55.83 1x60 h ASP 24 Cb 0.67 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1x60 h ASP 24 CO 0.00 1.55 -0.39 -1.28 -1.61 0.00 0.00 179.24 177.51 1x60 h SER 25 N 0.10 0.60 0.12 2.28 0.87 -1.38 -1.95 113.55 114.19 1x60 h SER 25 Ca -0.23 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1x60 h SER 25 Cb 2.06 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1x60 h SER 25 CO 0.21 0.93 -0.06 0.25 -0.53 0.00 0.00 176.83 177.63 1x60 h LEU 26 N 0.47 -0.14 -2.18 2.23 5.85 -1.54 -2.44 115.31 117.57 1x60 h LEU 26 Ca 0.04 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1x60 h LEU 26 Cb 0.89 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1x60 h LEU 26 CO 0.08 0.19 0.08 0.00 -0.34 0.00 0.00 178.44 178.45 1x60 h ALA 27 N 0.34 1.89 -0.44 1.25 0.00 -1.45 -1.04 119.26 119.82 1x60 h ALA 27 Ca -0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1x60 h ALA 27 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1x60 h ALA 27 CO 0.03 -0.13 -0.14 1.03 0.00 0.00 0.00 179.25 180.04 1x60 h SER 28 N 0.00 0.88 -0.24 0.00 0.87 -1.04 -1.96 113.55 112.06 1x60 h SER 28 Ca 0.05 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1x60 h SER 28 Cb 0.21 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1x60 h SER 28 CO -0.00 1.05 0.16 -0.55 -0.53 0.00 0.00 176.83 176.96 1x60 h ASN 29 N 0.70 0.27 -0.80 6.23 7.08 -0.72 -2.40 115.58 125.94 1x60 h ASN 29 Ca 0.11 -0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 53.32 1x60 h ASN 29 Cb 0.68 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 36.82 1x60 h ASN 29 CO 0.05 0.20 0.49 0.00 -2.08 0.00 0.00 177.43 176.10 1x60 h ALA 30 N 1.08 1.01 -0.84 4.14 0.00 -1.44 -1.72 119.26 121.50 1x60 h ALA 30 Ca 0.09 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1x60 h ALA 30 Cb -0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 1x60 h ALA 30 CO -0.02 0.47 0.55 1.49 0.00 0.00 0.00 179.25 181.73 1x60 h GLU 31 N 1.09 0.61 -0.18 0.00 4.81 -0.93 -1.21 114.58 118.77 1x60 h GLU 31 Ca 0.29 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1x60 h GLU 31 Cb -0.06 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 1x60 h GLU 31 CO -0.06 0.41 -0.13 0.00 -0.73 0.00 0.00 179.01 178.50 1x60 h ALA 32 N 1.61 -0.00 0.00 2.92 0.00 -0.83 0.16 119.26 123.11 1x60 h ALA 32 Ca 0.41 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1x60 h ALA 32 Cb 0.70 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1x60 h ALA 32 CO -0.17 -0.57 -0.12 0.87 0.00 0.00 0.00 179.25 179.26 1x60 h LYS 33 N -0.14 0.00 0.00 0.00 1.79 -1.25 -3.46 116.57 113.51 1x60 h LYS 33 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1x60 h LYS 33 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1x60 h LYS 33 CO -0.26 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.64 1x60 n GLY 34 N -1.11 1.54 3.90 3.86 0.00 0.55 -5.13 105.19 108.79 1x60 n GLY 34 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 3.30 -0.84 1.61 0.08 -0.91 -4.98 117.98 114.23 1x60 s PHE 35 Ca 0.00 -0.05 -0.21 0.00 0.12 0.00 0.00 56.93 56.79 1x60 s PHE 35 Cb 0.00 -1.50 0.10 0.00 -0.57 0.00 0.00 43.02 41.04 1x60 s PHE 35 CO 0.00 0.48 1.11 0.34 -0.10 0.00 0.00 175.22 177.05 1x60 s ASP 36 N -3.84 6.44 0.50 1.36 -1.08 -1.26 -4.09 116.67 114.70 1x60 s ASP 36 Ca 0.33 -1.56 -0.18 0.00 -0.52 0.00 0.00 52.55 50.63 1x60 s ASP 36 Cb -0.09 -2.43 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 1x60 s ASP 36 CO 0.27 -1.27 0.99 -0.94 0.52 0.00 0.00 175.17 174.73 1x60 s SER 37 N 3.82 6.61 -0.17 -0.34 1.04 -1.25 -3.35 113.70 120.06 1x60 s SER 37 Ca 0.31 1.66 -0.13 0.00 0.48 0.00 0.00 55.95 58.27 1x60 s SER 37 Cb -0.09 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.56 1x60 s SER 37 CO -0.02 -0.60 0.44 -0.51 0.98 0.00 0.00 173.24 173.53 1x60 s ILE 38 N -2.43 -0.01 -0.30 -1.02 2.07 0.05 -4.95 121.20 114.61 1x60 s ILE 38 Ca 0.61 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.85 1x60 s ILE 38 Cb -0.11 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.88 1x60 s ILE 38 CO 0.26 0.02 0.04 -0.69 -1.91 0.00 0.00 174.94 172.65 1x60 s VAL 39 N 0.83 3.42 -0.19 4.00 1.01 -1.25 -1.40 120.40 126.81 1x60 s VAL 39 Ca -0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1x60 s VAL 39 Cb -0.06 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1x60 s VAL 39 CO -0.06 -0.03 -0.03 -0.22 0.00 0.00 0.00 175.10 174.75 1x60 s LEU 40 N 1.37 3.09 -0.64 3.92 2.96 -0.83 -4.89 118.68 123.66 1x60 s LEU 40 Ca -0.01 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 1x60 s LEU 40 Cb -0.18 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1x60 s LEU 40 CO 0.00 0.08 1.35 -0.22 -1.32 0.00 0.00 176.35 176.24 1x60 s LEU 41 N 0.92 3.31 -0.25 -0.68 2.96 -1.26 -1.47 118.68 122.21 1x60 s LEU 41 Ca -0.00 -0.03 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 1x60 s LEU 41 Cb -0.15 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 1x60 s LEU 41 CO 0.01 -1.76 0.56 -0.75 -1.32 0.00 0.00 176.35 173.09 1x60 s LYS 42 N 5.60 4.10 0.32 1.98 2.36 0.36 -4.84 119.74 129.62 1x60 s LYS 42 Ca 0.45 0.42 0.00 0.00 -2.55 0.00 0.00 55.97 54.28 1x60 s LYS 42 Cb -0.09 -3.64 0.00 0.00 -1.05 0.00 0.00 37.83 33.05 1x60 s LYS 42 CO 0.21 -0.35 0.00 -3.47 1.55 0.00 0.00 175.35 173.28 1x60 n ASP 43 N 5.53 0.00 0.00 1.43 2.03 -1.26 0.18 116.55 124.47 1x60 n ASP 43 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1x60 n ASP 43 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x60 n GLY 44 N 0.00 0.10 3.78 0.27 0.00 -1.26 -5.08 105.19 102.99 1x60 n GLY 44 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 3.30 -0.04 0.99 1.43 0.49 -4.67 118.68 120.14 1x60 s LEU 45 Ca 0.00 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 1x60 s LEU 45 Cb 0.00 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1x60 s LEU 45 CO 0.00 -0.42 -0.24 -0.31 0.23 0.00 0.00 176.35 175.61 1x60 s TYR 46 N -2.45 2.43 0.18 0.29 1.51 0.24 0.14 117.35 119.69 1x60 s TYR 46 Ca 0.41 -0.53 0.10 0.00 -1.01 0.00 0.00 57.07 56.04 1x60 s TYR 46 Cb -0.02 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1x60 s TYR 46 CO 0.24 -0.09 -0.15 0.15 -1.11 0.00 0.00 175.55 174.60 1x60 s LYS 47 N -0.41 1.87 -0.18 -0.62 3.01 -0.54 0.11 119.74 122.98 1x60 s LYS 47 Ca 0.04 -1.34 0.01 0.00 -1.01 0.00 0.00 55.97 53.66 1x60 s LYS 47 Cb -0.12 -2.06 0.03 0.00 -1.01 0.00 0.00 37.83 34.68 1x60 s LYS 47 CO 0.01 0.43 -0.14 0.08 0.51 0.00 0.00 175.35 176.24 1x60 s VAL 48 N -1.66 1.76 0.04 3.17 1.01 0.70 -1.96 120.40 123.46 1x60 s VAL 48 Ca 0.23 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1x60 s VAL 48 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1x60 s VAL 48 CO 0.13 0.35 -0.25 -1.58 0.00 0.00 0.00 175.10 173.76 1x60 s GLN 49 N 1.38 1.90 0.00 2.72 0.74 -0.49 -1.71 119.66 124.19 1x60 s GLN 49 Ca 0.02 -1.06 0.01 0.00 0.05 0.00 0.00 55.36 54.38 1x60 s GLN 49 Cb -0.14 -2.03 -0.00 0.00 1.10 0.00 0.00 33.01 31.93 1x60 s GLN 49 CO -0.10 0.52 -0.04 0.96 -0.55 0.00 0.00 175.29 176.09 1x60 s ILE 50 N -0.81 0.29 -0.12 -2.34 -4.36 0.33 -0.77 121.20 113.42 1x60 s ILE 50 Ca 0.12 -0.23 -0.05 0.00 -0.26 0.00 0.00 60.65 60.23 1x60 s ILE 50 Cb -0.10 -0.26 0.02 0.00 1.25 0.00 0.00 42.46 43.37 1x60 s ILE 50 CO 0.02 0.04 0.10 0.61 0.24 0.00 0.00 174.94 175.95 1x60 n GLY 51 N 2.86 -4.06 2.97 6.27 0.00 -1.21 -1.73 105.19 110.29 1x60 n GLY 51 Ca -0.13 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.50 1.99 0.26 4.61 0.00 -1.26 -0.97 121.76 125.88 1x60 s ALA 52 Ca -0.11 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1x60 s ALA 52 Cb 0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1x60 s ALA 52 CO 0.43 -0.99 0.12 -0.06 0.00 0.00 0.00 175.76 175.26 1x60 s PHE 53 N 1.39 1.48 -0.62 0.00 0.40 -0.10 -4.99 117.98 115.53 1x60 s PHE 53 Ca -0.03 -1.27 0.25 0.00 -0.60 0.00 0.00 56.93 55.28 1x60 s PHE 53 Cb -0.17 -0.82 0.69 0.00 0.51 0.00 0.00 43.02 43.22 1x60 s PHE 53 CO -0.07 -0.44 1.73 1.03 0.70 0.00 0.00 175.22 178.17 1x60 h SER 54 N 2.39 0.00 -3.49 1.36 0.87 -1.95 -2.14 113.55 110.59 1x60 h SER 54 Ca -0.37 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.53 1x60 h SER 54 Cb 1.25 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.94 1x60 h SER 54 CO 0.57 0.00 -0.78 -0.55 -0.53 0.00 0.00 176.83 175.54 1x60 s SER 55 N -5.04 3.87 0.35 6.23 0.15 -1.26 -4.68 113.70 113.31 1x60 s SER 55 Ca 0.09 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.44 1x60 s SER 55 Cb 0.10 -1.41 0.66 0.00 -1.71 0.00 0.00 66.02 63.66 1x60 s SER 55 CO 0.61 0.20 1.97 0.50 1.20 0.00 0.00 173.24 177.72 1x60 h LYS 56 N 6.41 0.83 -1.24 5.44 3.64 -1.89 -1.94 116.57 127.82 1x60 h LYS 56 Ca -0.29 -0.05 0.36 0.00 -1.27 0.00 0.00 60.65 59.40 1x60 h LYS 56 Cb 1.20 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.76 1x60 h LYS 56 CO 0.53 0.55 0.85 0.22 -2.27 0.00 0.00 179.45 179.33 1x60 h ASP 57 N 0.85 0.17 0.00 4.20 1.82 -1.97 0.24 116.42 121.73 1x60 h ASP 57 Ca 0.30 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1x60 h ASP 57 Cb 0.11 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1x60 h ASP 57 CO -0.09 -0.00 -0.00 0.78 -1.61 0.00 0.00 179.24 178.32 1x60 h ASN 58 N 0.13 -0.00 -0.72 2.28 4.21 -1.74 -2.72 115.58 117.01 1x60 h ASN 58 Ca 0.65 -0.58 0.05 0.00 1.21 0.00 0.00 56.30 57.63 1x60 h ASN 58 Cb 2.24 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 39.38 1x60 h ASN 58 CO -0.15 0.58 0.42 0.00 -1.29 0.00 0.00 177.43 176.99 1x60 h ALA 59 N 0.40 0.97 0.04 -0.83 0.00 -0.70 -1.31 119.26 117.83 1x60 h ALA 59 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 59 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1x60 h ALA 59 CO 0.00 0.14 -0.07 -0.44 0.00 0.00 0.00 179.25 178.87 1x60 h ASP 60 N 0.79 -0.20 -0.89 0.00 5.19 -1.04 0.31 116.42 120.56 1x60 h ASP 60 Ca 0.31 0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.80 1x60 h ASP 60 Cb 0.15 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.69 1x60 h ASP 60 CO -0.17 -0.11 0.58 0.71 -3.12 0.00 0.00 179.24 177.14 1x60 h THR 61 N -0.15 1.10 0.14 0.35 1.35 -1.13 -0.80 112.91 113.76 1x60 h THR 61 Ca 0.02 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1x60 h THR 61 Cb 0.16 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 1x60 h THR 61 CO -0.05 0.19 -0.07 0.25 -0.25 0.00 0.00 175.52 175.60 1x60 h LEU 62 N 1.05 -0.16 0.29 3.87 7.12 -0.75 -2.38 115.31 124.36 1x60 h LEU 62 Ca 0.37 -0.30 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1x60 h LEU 62 Cb 0.13 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 1x60 h LEU 62 CO -0.13 0.23 -0.49 0.00 -0.13 0.00 0.00 178.44 177.93 1x60 h ALA 63 N 0.20 -1.05 -0.93 1.25 0.00 -0.02 0.20 119.26 118.91 1x60 h ALA 63 Ca -0.02 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 63 Cb 0.45 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1x60 h ALA 63 CO 0.03 -1.13 0.60 0.00 0.00 0.00 0.00 179.25 178.76 1x60 h ALA 64 N -0.79 2.05 -0.65 0.00 0.00 -1.25 0.35 119.26 118.96 1x60 h ALA 64 Ca -0.03 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 64 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1x60 h ALA 64 CO -0.16 -0.35 0.07 -0.09 0.00 0.00 0.00 179.25 178.71 1x60 h ARG 65 N 0.52 1.10 -0.60 0.00 2.43 -0.71 0.02 114.38 117.14 1x60 h ARG 65 Ca 0.50 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1x60 h ARG 65 Cb 1.07 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1x60 h ARG 65 CO -0.23 1.03 0.13 0.00 -1.51 0.00 0.00 179.97 179.39 1x60 h ALA 66 N 1.04 0.79 -0.24 2.80 0.00 0.27 0.95 119.26 124.87 1x60 h ALA 66 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 66 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1x60 h ALA 66 CO 0.02 0.52 0.13 0.87 0.00 0.00 0.00 179.25 180.78 1x60 h LYS 67 N 0.88 0.34 0.00 0.00 1.57 0.15 1.35 116.57 120.85 1x60 h LYS 67 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1x60 h LYS 67 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1x60 h LYS 67 CO 0.01 0.32 -0.24 -0.97 -0.57 0.00 0.00 179.45 177.99 1x60 h ASN 68 N 0.27 0.00 1.58 0.86 -0.73 -0.71 -2.38 115.58 114.46 1x60 h ASN 68 Ca 0.08 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.21 1x60 h ASN 68 Cb 0.08 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 1x60 h ASN 68 CO -0.01 0.24 -0.19 0.00 -0.37 0.00 0.00 177.43 177.10 1x60 h ALA 69 N 1.76 0.90 0.00 1.57 0.00 0.20 -3.47 119.26 120.22 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 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x60 h ALA 69 CO 0.03 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1x60 n GLY 70 N 0.88 1.70 3.16 0.00 0.00 0.49 -5.03 105.19 106.38 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 1.25 -1.22 1.61 0.08 0.43 -4.98 117.98 113.15 1x60 s PHE 71 Ca 0.00 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 1x60 s PHE 71 Cb 0.00 -0.72 0.20 0.00 -0.57 0.00 0.00 43.02 41.93 1x60 s PHE 71 CO 0.00 0.05 1.61 -3.47 -0.10 0.00 0.00 175.22 173.31 1x60 n ASP 72 N 1.54 5.35 -4.80 1.36 -0.08 -1.26 -1.45 116.55 117.20 1x60 n ASP 72 Ca -0.20 -3.10 -0.38 0.00 -1.51 0.00 0.00 54.79 49.60 1x60 n ASP 72 Cb 0.54 -1.48 -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 0.23 3.51 0.07 -1.67 0.00 -1.26 -4.07 121.76 118.57 1x60 s ALA 73 Ca 0.39 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1x60 s ALA 73 Cb 0.03 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1x60 s ALA 73 CO 0.01 0.35 -0.10 0.96 0.00 0.00 0.00 175.76 176.98 1x60 s ILE 74 N -1.20 0.83 -0.14 0.00 -5.25 0.17 -4.69 121.20 110.91 1x60 s ILE 74 Ca 0.34 -1.31 -0.07 0.00 -0.99 0.00 0.00 60.65 58.62 1x60 s ILE 74 Cb -0.20 -0.97 -0.04 0.00 2.95 0.00 0.00 42.46 44.20 1x60 s ILE 74 CO 0.22 -0.38 0.11 -0.69 -1.79 0.00 0.00 174.94 172.41 1x60 s VAL 75 N -1.64 5.21 -0.00 8.37 1.01 -1.26 0.42 120.40 132.50 1x60 s VAL 75 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1x60 s VAL 75 Cb -0.08 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1x60 s VAL 75 CO 0.01 0.55 -0.01 0.27 0.00 0.00 0.00 175.10 175.92 1x60 s ILE 76 N -0.48 0.10 -0.47 2.22 -4.36 -0.48 -4.99 121.20 112.74 1x60 s ILE 76 Ca 0.11 -0.04 -0.19 0.00 -0.26 0.00 0.00 60.65 60.27 1x60 s ILE 76 Cb -0.12 -0.10 0.04 0.00 1.25 0.00 0.00 42.46 43.53 1x60 s ILE 76 CO 0.02 0.04 0.59 -0.22 0.24 0.00 0.00 174.94 175.60 1x60 s LEU 77 N 0.06 4.83 -0.25 0.37 2.96 -1.25 -2.43 118.68 122.97 1x60 s LEU 77 Ca -0.00 -0.72 -0.16 0.00 -0.22 0.00 0.00 54.13 53.03 1x60 s LEU 77 Cb -0.02 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1x60 s LEU 77 CO -0.00 -0.79 0.42 -1.61 -1.32 0.00 0.00 176.35 173.04 1x60 s GLU 78 N 2.56 4.07 0.00 1.98 2.02 0.40 -4.74 118.70 125.00 1x60 s GLU 78 Ca 0.16 0.16 0.24 0.00 0.02 0.00 0.00 54.97 55.55 1x60 s GLU 78 Cb -0.17 -3.62 0.19 0.00 0.10 0.00 0.00 34.13 30.62 1x60 s GLU 78 CO 0.14 -0.24 1.25 0.45 0.02 0.00 0.00 175.26 176.89