#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 2.56 -0.17 3.23 1.02 -1.26 -4.86 119.74 120.27 1x60 s LYS 2 Ca 0.00 -1.98 0.01 0.00 0.02 0.00 0.00 55.97 54.02 1x60 s LYS 2 Cb 0.00 -3.91 -0.11 0.00 -0.52 0.00 0.00 37.83 33.29 1x60 s LYS 2 CO 0.00 -1.19 -0.14 0.36 -0.92 0.00 0.00 175.35 173.46 1x60 n LYS 3 N 4.53 0.44 -4.05 1.68 2.85 -1.26 -5.08 118.16 117.27 1x60 n LYS 3 Ca -0.02 0.09 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 1x60 n LYS 3 Cb 0.41 -1.33 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 1x60 n LYS 3 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1x60 s THR 4 N -2.33 0.00 0.00 0.58 -4.23 -1.26 -5.06 115.64 103.34 1x60 s THR 4 Ca -0.22 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1x60 s THR 4 Cb 0.06 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1x60 s THR 4 CO 0.39 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.23 1x60 n SER 5 N -1.05 0.00 -2.82 3.99 2.88 -1.26 -5.09 113.62 110.27 1x60 n SER 5 Ca -0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1x60 n SER 5 Cb 0.62 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.11 1x60 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x60 n SER 6 N -1.06 -7.96 -0.63 -3.46 7.64 -1.26 -4.99 113.62 101.90 1x60 n SER 6 Ca 0.00 0.82 0.03 0.00 1.01 0.00 0.00 58.87 60.72 1x60 n SER 6 Cb 0.00 -5.33 0.04 0.00 -1.01 0.00 0.00 64.21 57.91 1x60 n SER 6 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x60 n SER 7 N 0.03 0.65 0.00 6.43 2.88 -1.26 -5.13 113.62 117.23 1x60 n SER 7 Ca 0.08 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 1x60 n SER 7 Cb 0.32 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1x60 n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x60 n GLY 8 N -0.19 0.58 3.05 0.46 0.00 -1.26 -4.70 105.19 103.13 1x60 n GLY 8 Ca 0.05 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 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 1.47 -0.44 0.99 1.02 0.34 -4.86 118.68 117.20 1x60 s LEU 9 Ca 0.00 0.17 -0.14 0.00 0.02 0.00 0.00 54.13 54.18 1x60 s LEU 9 Cb 0.00 0.54 0.05 0.00 0.02 0.00 0.00 46.19 46.81 1x60 s LEU 9 CO 0.00 -0.13 0.34 -0.31 0.02 0.00 0.00 176.35 176.27 1x60 s TYR 10 N -0.29 3.25 0.15 0.29 2.02 -0.76 -0.64 117.35 121.38 1x60 s TYR 10 Ca -0.04 -0.86 0.07 0.00 -0.37 0.00 0.00 57.07 55.88 1x60 s TYR 10 Cb -0.03 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 1x60 s TYR 10 CO 0.00 -0.72 -0.16 0.15 -1.57 0.00 0.00 175.55 173.26 1x60 s LYS 11 N 1.63 1.17 -0.10 -0.62 1.02 -1.02 -0.95 119.74 120.88 1x60 s LYS 11 Ca 0.04 -1.36 -0.02 0.00 0.02 0.00 0.00 55.97 54.65 1x60 s LYS 11 Cb -0.22 -1.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 1x60 s LYS 11 CO 0.07 0.21 -0.02 0.08 -0.92 0.00 0.00 175.35 174.78 1x60 s VAL 12 N -2.25 4.09 -0.04 3.17 1.01 0.36 -1.48 120.40 125.27 1x60 s VAL 12 Ca 0.14 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1x60 s VAL 12 Cb -0.04 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1x60 s VAL 12 CO 0.05 0.58 -0.11 -1.58 0.00 0.00 0.00 175.10 174.04 1x60 s GLN 13 N -0.57 1.31 0.00 2.72 0.74 0.20 0.13 119.66 124.19 1x60 s GLN 13 Ca 0.09 -0.37 0.17 0.00 0.05 0.00 0.00 55.36 55.31 1x60 s GLN 13 Cb -0.12 -1.15 -0.01 0.00 1.10 0.00 0.00 33.01 32.83 1x60 s GLN 13 CO 0.02 0.09 0.89 0.44 -0.55 0.00 0.00 175.29 176.18 1x60 n ILE 14 N 3.51 0.00 0.00 -2.34 -0.00 -0.79 0.42 119.36 120.16 1x60 n ILE 14 Ca -0.20 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.23 1x60 n ILE 14 Cb 0.53 1.20 0.00 0.00 -0.00 0.00 0.00 39.64 41.37 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 1.20 0.74 3.30 3.28 0.00 -1.21 -4.50 105.19 107.99 1x60 n GLY 15 Ca 0.07 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.97 -1.01 -0.00 4.61 0.00 -1.26 0.37 121.76 122.50 1x60 s ALA 16 Ca 0.00 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.01 1x60 s ALA 16 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1x60 s ALA 16 CO 0.00 -0.20 0.14 -0.06 0.00 0.00 0.00 175.76 175.65 1x60 s PHE 17 N 0.16 0.01 -0.29 0.00 0.40 0.38 -4.89 117.98 113.76 1x60 s PHE 17 Ca -0.00 -0.07 0.20 0.00 -0.60 0.00 0.00 56.93 56.46 1x60 s PHE 17 Cb -0.03 -0.03 1.07 0.00 0.51 0.00 0.00 43.02 44.54 1x60 s PHE 17 CO 0.01 -0.27 1.62 1.17 0.70 0.00 0.00 175.22 178.45 1x60 n LYS 18 N 1.62 0.13 -4.21 0.44 4.81 -1.26 0.81 118.16 120.50 1x60 n LYS 18 Ca -0.22 0.61 -0.34 0.00 -0.87 0.00 0.00 58.31 57.49 1x60 n LYS 18 Cb 0.56 -1.92 -0.11 0.00 0.02 0.00 0.00 35.03 33.58 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1x60 s VAL 19 N -3.49 4.20 0.11 3.15 1.01 -1.26 -4.61 120.40 119.52 1x60 s VAL 19 Ca -0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1x60 s VAL 19 Cb 0.06 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1x60 s VAL 19 CO 0.20 0.47 1.47 0.50 0.00 0.00 0.00 175.10 177.74 1x60 h LYS 20 N 6.85 0.72 -0.61 2.72 3.64 -1.95 -1.73 116.57 126.20 1x60 h LYS 20 Ca -0.34 -0.33 0.14 0.00 -1.27 0.00 0.00 60.65 58.85 1x60 h LYS 20 Cb 1.18 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1x60 h LYS 20 CO 0.65 0.94 0.42 0.00 -2.27 0.00 0.00 179.45 179.19 1x60 h ALA 21 N 0.76 2.29 0.05 5.00 0.00 -1.96 0.46 119.26 125.86 1x60 h ALA 21 Ca 0.07 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1x60 h ALA 21 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x60 h ALA 21 CO 0.06 -0.45 -1.05 -0.91 0.00 0.00 0.00 179.25 176.89 1x60 h ASN 22 N 0.21 0.46 1.17 0.00 4.21 -1.88 -2.56 115.58 117.19 1x60 h ASN 22 Ca 0.29 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.39 1x60 h ASN 22 Cb 0.87 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 1x60 h ASN 22 CO -0.05 1.25 0.00 0.00 -1.29 0.00 0.00 177.43 177.34 1x60 h ALA 23 N 0.70 1.00 0.15 -0.83 0.00 0.61 -2.64 119.26 118.26 1x60 h ALA 23 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1x60 h ALA 23 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1x60 h ALA 23 CO 0.18 0.00 -1.63 0.22 0.00 0.00 0.00 179.25 178.01 1x60 h ASP 24 N 0.00 0.50 -0.41 0.00 3.58 -0.27 -2.73 116.42 117.09 1x60 h ASP 24 Ca 0.00 -0.72 -0.07 0.00 0.42 0.00 0.00 57.03 56.66 1x60 h ASP 24 Cb 0.58 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1x60 h ASP 24 CO 0.00 1.60 0.01 -1.28 -2.88 0.00 0.00 179.24 176.69 1x60 h SER 25 N 0.09 0.76 0.02 2.28 0.87 -1.32 -1.72 113.55 114.53 1x60 h SER 25 Ca -0.29 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1x60 h SER 25 Cb 2.06 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 1x60 h SER 25 CO 0.17 0.82 -0.01 0.25 -0.53 0.00 0.00 176.83 177.53 1x60 h LEU 26 N 0.74 -0.03 -2.18 2.23 5.85 -1.57 -2.38 115.31 117.98 1x60 h LEU 26 Ca 0.15 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1x60 h LEU 26 Cb 0.43 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1x60 h LEU 26 CO 0.02 0.40 0.22 0.00 -0.34 0.00 0.00 178.44 178.74 1x60 h ALA 27 N 0.50 1.88 -0.06 1.25 0.00 -1.33 -0.52 119.26 120.98 1x60 h ALA 27 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1x60 h ALA 27 Cb 0.43 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1x60 h ALA 27 CO 0.01 -0.34 -0.90 0.77 0.00 0.00 0.00 179.25 178.79 1x60 h SER 28 N 0.00 0.89 -0.15 0.00 0.02 -1.04 -2.60 113.55 110.68 1x60 h SER 28 Ca 0.10 -0.70 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1x60 h SER 28 Cb 0.55 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1x60 h SER 28 CO -0.00 1.46 0.08 -0.55 -1.14 0.00 0.00 176.83 176.68 1x60 h ASN 29 N 0.40 0.13 -0.81 3.07 -1.07 -0.58 -2.24 115.58 114.48 1x60 h ASN 29 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.26 1x60 h ASN 29 Cb 1.54 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 37.73 1x60 h ASN 29 CO 0.18 0.10 0.43 0.00 0.07 0.00 0.00 177.43 178.21 1x60 h ALA 30 N 1.06 1.22 -0.87 4.14 0.00 -1.56 -1.93 119.26 121.32 1x60 h ALA 30 Ca 0.06 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1x60 h ALA 30 Cb -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.39 1x60 h ALA 30 CO -0.03 0.62 0.56 1.49 0.00 0.00 0.00 179.25 181.89 1x60 h GLU 31 N 1.15 0.70 -0.32 0.00 4.81 -1.00 -1.19 114.58 118.72 1x60 h GLU 31 Ca 0.29 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1x60 h GLU 31 Cb 0.05 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 1x60 h GLU 31 CO -0.04 0.46 -0.04 0.00 -0.73 0.00 0.00 179.01 178.65 1x60 h ALA 32 N 1.59 0.25 0.00 2.92 0.00 -0.83 0.28 119.26 123.47 1x60 h ALA 32 Ca 0.43 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1x60 h ALA 32 Cb 0.64 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1x60 h ALA 32 CO -0.19 -0.44 -0.09 0.87 0.00 0.00 0.00 179.25 179.40 1x60 h LYS 33 N 0.04 0.00 0.00 0.00 1.79 -1.27 -3.45 116.57 113.67 1x60 h LYS 33 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1x60 h LYS 33 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1x60 h LYS 33 CO -0.30 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 1x60 n GLY 34 N -1.15 1.71 3.92 3.86 0.00 0.97 -5.13 105.19 109.38 1x60 n GLY 34 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 3.35 -0.82 1.61 0.08 -0.96 -4.99 117.98 114.25 1x60 s PHE 35 Ca 0.00 -0.03 -0.21 0.00 0.12 0.00 0.00 56.93 56.81 1x60 s PHE 35 Cb 0.00 -1.54 0.09 0.00 -0.57 0.00 0.00 43.02 41.00 1x60 s PHE 35 CO 0.00 0.47 1.11 0.34 -0.10 0.00 0.00 175.22 177.05 1x60 s ASP 36 N -3.80 6.40 0.56 1.36 -1.08 -1.26 -4.07 116.67 114.77 1x60 s ASP 36 Ca 0.34 -1.44 -0.14 0.00 -0.52 0.00 0.00 52.55 50.79 1x60 s ASP 36 Cb -0.09 -2.44 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1x60 s ASP 36 CO 0.28 -1.33 0.99 -0.94 0.52 0.00 0.00 175.17 174.69 1x60 s SER 37 N 3.85 6.44 -0.21 -0.34 1.04 -1.26 -2.20 113.70 121.02 1x60 s SER 37 Ca 0.30 1.47 -0.23 0.00 0.48 0.00 0.00 55.95 57.97 1x60 s SER 37 Cb -0.09 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.61 1x60 s SER 37 CO -0.00 -0.71 0.64 -0.51 0.98 0.00 0.00 173.24 173.64 1x60 s ILE 38 N -2.86 0.00 -0.20 -1.02 2.07 0.77 -4.95 121.20 115.01 1x60 s ILE 38 Ca 0.57 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.80 1x60 s ILE 38 Cb -0.10 -0.90 0.03 0.00 0.13 0.00 0.00 42.46 41.61 1x60 s ILE 38 CO 0.42 -0.01 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.57 1x60 s VAL 39 N 0.08 2.13 -0.21 4.00 1.01 -1.25 -1.00 120.40 125.16 1x60 s VAL 39 Ca -0.02 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1x60 s VAL 39 Cb -0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1x60 s VAL 39 CO 0.02 0.42 -0.01 -0.22 0.00 0.00 0.00 175.10 175.31 1x60 s LEU 40 N 1.26 3.16 -0.43 3.92 2.96 -0.76 -4.89 118.68 123.90 1x60 s LEU 40 Ca 0.02 -0.26 -0.26 0.00 -0.22 0.00 0.00 54.13 53.41 1x60 s LEU 40 Cb -0.14 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1x60 s LEU 40 CO -0.11 0.02 0.95 -0.22 -1.32 0.00 0.00 176.35 175.67 1x60 s LEU 41 N 1.23 3.96 0.37 -0.68 2.96 -1.26 -1.19 118.68 124.07 1x60 s LEU 41 Ca 0.03 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1x60 s LEU 41 Cb -0.15 -3.26 -0.00 0.00 0.50 0.00 0.00 46.19 43.28 1x60 s LEU 41 CO 0.01 -1.00 0.51 -1.59 -1.32 0.00 0.00 176.35 172.95 1x60 s LYS 42 N 3.73 2.99 0.00 1.98 0.00 0.26 -4.94 119.74 123.77 1x60 s LYS 42 Ca 0.39 -1.11 -0.11 0.00 0.00 0.00 0.00 55.97 55.13 1x60 s LYS 42 Cb -0.10 -2.79 -0.14 0.00 0.00 0.00 0.00 37.83 34.80 1x60 s LYS 42 CO 0.24 -0.08 1.06 -0.25 0.00 0.00 0.00 175.35 176.32 1x60 n ASP 43 N -1.72 0.27 0.00 0.03 9.92 -1.26 -1.96 116.55 121.82 1x60 n ASP 43 Ca 0.03 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 1x60 n ASP 43 Cb 0.58 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 4.16 1.30 3.10 0.44 0.00 -1.26 -5.12 105.19 107.81 1x60 n GLY 44 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 1.66 -0.14 0.99 1.43 -0.83 -4.45 118.68 117.34 1x60 s LEU 45 Ca 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1x60 s LEU 45 Cb 0.00 0.61 -0.03 0.00 0.03 0.00 0.00 46.19 46.81 1x60 s LEU 45 CO 0.00 -0.39 -0.05 -0.31 0.23 0.00 0.00 176.35 175.83 1x60 s TYR 46 N -1.60 3.00 0.04 0.29 1.51 0.24 0.92 117.35 121.75 1x60 s TYR 46 Ca -0.13 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1x60 s TYR 46 Cb -0.07 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1x60 s TYR 46 CO 0.00 0.02 0.08 0.15 -1.11 0.00 0.00 175.55 174.69 1x60 s LYS 47 N 0.16 2.96 -0.32 -0.62 3.01 -0.34 0.14 119.74 124.73 1x60 s LYS 47 Ca -0.02 -0.60 0.04 0.00 -1.01 0.00 0.00 55.97 54.38 1x60 s LYS 47 Cb -0.14 -2.78 0.09 0.00 -1.01 0.00 0.00 37.83 33.99 1x60 s LYS 47 CO 0.03 0.60 0.03 0.08 0.51 0.00 0.00 175.35 176.60 1x60 s VAL 48 N -1.29 2.18 -0.04 3.17 1.01 0.16 -1.83 120.40 123.76 1x60 s VAL 48 Ca 0.26 -2.18 0.01 0.00 0.00 0.00 0.00 61.98 60.07 1x60 s VAL 48 Cb -0.12 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1x60 s VAL 48 CO 0.18 -0.51 -0.03 -1.58 0.00 0.00 0.00 175.10 173.16 1x60 s GLN 49 N 0.97 2.77 -0.06 2.72 0.74 -0.17 -1.89 119.66 124.74 1x60 s GLN 49 Ca 0.08 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.91 1x60 s GLN 49 Cb -0.19 -2.64 0.03 0.00 1.10 0.00 0.00 33.01 31.31 1x60 s GLN 49 CO -0.08 0.65 -0.01 0.96 -0.55 0.00 0.00 175.29 176.25 1x60 s ILE 50 N -0.95 0.43 0.00 -2.34 -5.25 0.35 -0.17 121.20 113.28 1x60 s ILE 50 Ca 0.16 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.85 1x60 s ILE 50 Cb -0.11 -0.54 0.00 0.00 2.95 0.00 0.00 42.46 44.76 1x60 s ILE 50 CO 0.05 0.25 0.00 0.61 -1.79 0.00 0.00 174.94 174.06 1x60 n GLY 51 N 4.76 -2.65 2.91 6.27 0.00 -0.94 -2.98 105.19 112.56 1x60 n GLY 51 Ca -0.14 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 0.28 4.61 0.00 -1.26 -0.48 121.76 126.42 1x60 s ALA 52 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1x60 s ALA 52 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1x60 s ALA 52 CO 0.00 -0.69 0.16 -0.06 0.00 0.00 0.00 175.76 175.16 1x60 s PHE 53 N 1.62 1.54 -0.51 0.00 0.40 -0.12 -4.99 117.98 115.92 1x60 s PHE 53 Ca 0.02 -1.37 0.24 0.00 -0.60 0.00 0.00 56.93 55.22 1x60 s PHE 53 Cb -0.15 -0.81 0.39 0.00 0.51 0.00 0.00 43.02 42.96 1x60 s PHE 53 CO -0.08 -0.54 1.49 1.03 0.70 0.00 0.00 175.22 177.82 1x60 h SER 54 N 2.29 0.00 -3.46 1.36 0.87 -1.95 -2.01 113.55 110.65 1x60 h SER 54 Ca -0.34 -0.04 -0.66 0.00 -1.23 0.00 0.00 61.79 59.52 1x60 h SER 54 Cb 1.25 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.52 0.02 -0.77 -0.55 -0.53 0.00 0.00 176.83 175.52 1x60 s SER 55 N -5.29 4.02 0.29 6.23 0.15 -1.26 -4.63 113.70 113.20 1x60 s SER 55 Ca 0.06 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.39 1x60 s SER 55 Cb 0.09 -1.47 0.43 0.00 -1.71 0.00 0.00 66.02 63.37 1x60 s SER 55 CO 0.68 0.20 1.93 0.50 1.20 0.00 0.00 173.24 177.75 1x60 h LYS 56 N 6.44 1.11 -1.31 5.44 3.64 -1.88 -2.01 116.57 128.00 1x60 h LYS 56 Ca -0.30 -0.07 0.39 0.00 -1.27 0.00 0.00 60.65 59.41 1x60 h LYS 56 Cb 1.20 -0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.68 1x60 h LYS 56 CO 0.55 0.74 0.88 0.38 -2.27 0.00 0.00 179.45 179.72 1x60 h ASP 57 N 1.15 0.21 -0.03 4.20 3.04 -1.97 0.46 116.42 123.47 1x60 h ASP 57 Ca 0.37 0.07 -0.03 0.00 -3.24 0.00 0.00 57.03 54.20 1x60 h ASP 57 Cb 0.03 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1x60 h ASP 57 CO -0.11 -0.05 -0.08 0.78 -2.04 0.00 0.00 179.24 177.74 1x60 h ASN 58 N 0.13 0.12 -0.54 4.15 2.35 -1.75 -2.65 115.58 117.38 1x60 h ASN 58 Ca 0.72 -0.62 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1x60 h ASN 58 Cb 2.39 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 40.69 1x60 h ASN 58 CO -0.24 0.72 0.30 0.00 -1.65 0.00 0.00 177.43 176.56 1x60 h ALA 59 N 0.40 0.70 0.03 -0.83 0.00 -0.25 -0.91 119.26 118.41 1x60 h ALA 59 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 59 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1x60 h ALA 59 CO 0.02 -0.02 -0.04 -0.44 0.00 0.00 0.00 179.25 178.76 1x60 h ASP 60 N 0.58 -0.11 -0.68 0.00 5.19 -0.92 0.30 116.42 120.78 1x60 h ASP 60 Ca 0.23 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.69 1x60 h ASP 60 Cb 0.10 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 1x60 h ASP 60 CO -0.14 -0.06 0.45 0.74 -3.12 0.00 0.00 179.24 177.11 1x60 h THR 61 N -0.09 1.08 0.09 0.35 2.02 -1.16 -0.29 112.91 114.90 1x60 h THR 61 Ca 0.01 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1x60 h THR 61 Cb 0.09 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1x60 h THR 61 CO -0.02 0.14 -0.04 0.25 0.37 0.00 0.00 175.52 176.22 1x60 h LEU 62 N 0.79 -0.10 0.47 2.58 7.12 -0.64 -2.48 115.31 123.05 1x60 h LEU 62 Ca 0.28 -0.39 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 1x60 h LEU 62 Cb 0.11 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1x60 h LEU 62 CO -0.08 0.37 -0.49 0.00 -0.13 0.00 0.00 178.44 178.10 1x60 h ALA 63 N 0.25 -1.10 -0.98 1.25 0.00 0.01 0.12 119.26 118.80 1x60 h ALA 63 Ca -0.01 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.49 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1x60 h ALA 63 CO 0.02 -1.16 0.62 0.00 0.00 0.00 0.00 179.25 178.73 1x60 h ALA 64 N -0.80 1.93 -0.54 0.00 0.00 -1.17 0.54 119.26 119.23 1x60 h ALA 64 Ca -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 64 Cb 0.86 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1x60 h ALA 64 CO -0.08 -0.29 0.05 -0.09 0.00 0.00 0.00 179.25 178.85 1x60 h ARG 65 N 0.59 0.88 -0.45 0.00 2.43 -0.85 -0.15 114.38 116.84 1x60 h ARG 65 Ca 0.55 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.43 1x60 h ARG 65 Cb 1.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1x60 h ARG 65 CO -0.31 0.85 0.02 0.00 -1.51 0.00 0.00 179.97 179.01 1x60 h ALA 66 N 1.22 0.60 -0.26 2.80 0.00 0.26 0.88 119.26 124.76 1x60 h ALA 66 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1x60 h ALA 66 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1x60 h ALA 66 CO 0.01 0.37 0.15 0.87 0.00 0.00 0.00 179.25 180.66 1x60 h LYS 67 N 0.62 0.37 0.00 0.00 6.56 0.19 1.21 116.57 125.52 1x60 h LYS 67 Ca 0.13 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.62 1x60 h LYS 67 Cb 0.47 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1x60 h LYS 67 CO 0.02 0.32 -0.27 -0.97 -2.06 0.00 0.00 179.45 176.49 1x60 h ASN 68 N 0.32 0.00 1.42 0.86 -1.24 -0.84 -2.40 115.58 113.69 1x60 h ASN 68 Ca 0.09 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 1x60 h ASN 68 Cb 0.06 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1x60 h ASN 68 CO -0.02 0.27 -0.24 0.00 -1.29 0.00 0.00 177.43 176.15 1x60 h ALA 69 N 1.73 0.89 0.00 1.57 0.00 0.19 -3.47 119.26 120.18 1x60 h ALA 69 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x60 h ALA 69 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x60 h ALA 69 CO 0.03 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1x60 n GLY 70 N 0.77 1.74 3.15 0.00 0.00 0.50 -5.03 105.19 106.31 1x60 n GLY 70 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 1.15 -1.20 1.61 0.08 0.39 -4.98 117.98 113.02 1x60 s PHE 71 Ca 0.00 -0.44 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1x60 s PHE 71 Cb 0.00 -0.66 0.21 0.00 -0.57 0.00 0.00 43.02 42.00 1x60 s PHE 71 CO 0.00 0.04 1.57 -3.47 -0.10 0.00 0.00 175.22 173.26 1x60 n ASP 72 N 1.46 5.44 -4.80 1.36 2.03 -1.26 -1.42 116.55 119.35 1x60 n ASP 72 Ca -0.21 -3.12 -0.38 0.00 0.52 0.00 0.00 54.79 51.61 1x60 n ASP 72 Cb 0.54 -1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x60 s ALA 73 N -0.09 3.47 0.06 -1.67 0.00 -1.26 -4.06 121.76 118.20 1x60 s ALA 73 Ca 0.38 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1x60 s ALA 73 Cb 0.02 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1x60 s ALA 73 CO 0.01 0.34 -0.11 0.96 0.00 0.00 0.00 175.76 176.96 1x60 s ILE 74 N -1.31 0.82 -0.14 0.00 -4.36 0.17 -4.71 121.20 111.67 1x60 s ILE 74 Ca 0.37 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 59.52 1x60 s ILE 74 Cb -0.19 -0.83 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 1x60 s ILE 74 CO 0.22 -0.30 0.08 -0.69 0.24 0.00 0.00 174.94 174.50 1x60 s VAL 75 N -1.32 5.01 0.00 8.37 1.01 -1.26 0.61 120.40 132.82 1x60 s VAL 75 Ca -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1x60 s VAL 75 Cb -0.10 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1x60 s VAL 75 CO 0.01 0.56 0.01 0.27 0.00 0.00 0.00 175.10 175.95 1x60 s ILE 76 N -0.48 0.03 -0.47 2.22 -4.36 -0.55 -4.99 121.20 112.61 1x60 s ILE 76 Ca 0.11 -0.25 -0.18 0.00 -0.26 0.00 0.00 60.65 60.07 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 -0.14 0.54 -0.22 0.24 0.00 0.00 174.94 175.38 1x60 s LEU 77 N -0.40 4.95 -0.23 0.37 2.96 -1.25 -2.44 118.68 122.65 1x60 s LEU 77 Ca -0.04 -0.81 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 1x60 s LEU 77 Cb -0.03 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1x60 s LEU 77 CO -0.00 -0.74 0.24 -1.61 -1.32 0.00 0.00 176.35 172.91 1x60 s GLU 78 N 2.37 4.10 0.00 1.98 2.02 0.19 -4.73 118.70 124.62 1x60 s GLU 78 Ca 0.14 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1x60 s GLU 78 Cb -0.18 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1x60 s GLU 78 CO 0.13 0.02 0.49 0.45 0.02 0.00 0.00 175.26 176.37