#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 n LYS 2 N 0.00 0.24 0.00 1.96 5.02 -1.26 -4.90 118.16 119.21 1x60 n LYS 2 Ca 0.00 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 1x60 n LYS 2 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 1x60 n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x60 n LYS 3 N 0.21 0.00 -1.36 1.97 5.02 -1.26 -4.87 118.16 117.87 1x60 n LYS 3 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1x60 n LYS 3 Cb 1.02 -0.17 0.02 0.00 -0.02 0.00 0.00 35.03 35.88 1x60 n LYS 3 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1x60 n THR 4 N -2.26 3.31 -0.11 -0.18 -2.24 -1.26 -4.58 114.28 106.95 1x60 n THR 4 Ca 0.00 -2.84 -0.11 0.00 -2.27 0.00 0.00 64.05 58.83 1x60 n THR 4 Cb 0.03 -1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 66.89 1x60 n THR 4 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1x60 h SER 5 N 2.30 0.54 -2.41 3.42 0.87 -1.91 -3.42 113.55 112.95 1x60 h SER 5 Ca 0.46 -0.31 -0.38 0.00 -1.23 0.00 0.00 61.79 60.33 1x60 h SER 5 Cb 0.67 -0.15 -0.36 0.00 -0.44 0.00 0.00 62.40 62.12 1x60 h SER 5 CO 1.14 0.72 -0.67 -0.44 -0.53 0.00 0.00 176.83 177.05 1x60 s SER 6 N -6.05 2.10 -0.61 6.23 0.01 -1.26 -5.07 113.70 109.04 1x60 s SER 6 Ca -0.13 -0.77 0.05 0.00 1.31 0.00 0.00 55.95 56.40 1x60 s SER 6 Cb 0.08 0.25 0.18 0.00 0.21 0.00 0.00 66.02 66.74 1x60 s SER 6 CO 0.77 -0.39 0.46 -1.20 0.41 0.00 0.00 173.24 173.29 1x60 n SER 7 N 5.30 1.91 0.00 2.44 7.64 -1.26 -5.07 113.62 124.57 1x60 n SER 7 Ca -0.04 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1x60 n SER 7 Cb 0.46 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1x60 n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x60 n GLY 8 N 2.16 1.12 3.02 0.23 0.00 -1.26 -4.88 105.19 105.57 1x60 n GLY 8 Ca 0.24 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 1.38 -0.44 0.99 1.43 0.19 -4.90 118.68 117.33 1x60 s LEU 9 Ca 0.00 0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 1x60 s LEU 9 Cb 0.00 0.49 0.06 0.00 0.03 0.00 0.00 46.19 46.77 1x60 s LEU 9 CO 0.00 -0.06 0.34 -0.31 0.23 0.00 0.00 176.35 176.55 1x60 s TYR 10 N 0.17 3.26 0.15 0.29 2.02 -0.84 -1.82 117.35 120.57 1x60 s TYR 10 Ca -0.01 -0.94 0.09 0.00 -0.37 0.00 0.00 57.07 55.84 1x60 s TYR 10 Cb -0.02 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1x60 s TYR 10 CO -0.00 -0.74 -0.19 0.15 -1.57 0.00 0.00 175.55 173.19 1x60 s LYS 11 N 1.61 1.25 -0.09 -0.62 1.02 -1.03 -1.05 119.74 120.83 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 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 1x60 s LYS 11 CO 0.07 0.29 0.01 0.08 -0.92 0.00 0.00 175.35 174.87 1x60 s VAL 12 N -1.85 4.37 -0.04 3.17 1.01 0.15 -1.42 120.40 125.80 1x60 s VAL 12 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1x60 s VAL 12 Cb -0.07 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1x60 s VAL 12 CO 0.06 0.60 -0.09 -1.58 0.00 0.00 0.00 175.10 174.10 1x60 s GLN 13 N -0.86 1.12 0.00 2.72 0.74 0.20 0.12 119.66 123.70 1x60 s GLN 13 Ca 0.13 -0.29 0.16 0.00 0.05 0.00 0.00 55.36 55.41 1x60 s GLN 13 Cb -0.11 -1.01 -0.03 0.00 1.10 0.00 0.00 33.01 32.95 1x60 s GLN 13 CO 0.02 0.05 0.83 0.44 -0.55 0.00 0.00 175.29 176.09 1x60 n ILE 14 N 3.58 0.00 0.00 -2.34 -0.00 -0.82 0.37 119.36 120.14 1x60 n ILE 14 Ca -0.21 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.53 1.16 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 1.18 0.61 3.31 3.28 0.00 -1.22 -4.50 105.19 107.85 1x60 n GLY 15 Ca 0.06 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.93 -1.02 0.02 4.61 0.00 -1.26 0.36 121.76 122.54 1x60 s ALA 16 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 1x60 s ALA 16 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1x60 s ALA 16 CO 0.00 -0.25 0.28 -0.06 0.00 0.00 0.00 175.76 175.74 1x60 s PHE 17 N -0.59 -0.10 0.08 0.00 0.40 0.34 -4.89 117.98 113.22 1x60 s PHE 17 Ca -0.07 0.02 0.30 0.00 -0.60 0.00 0.00 56.93 56.58 1x60 s PHE 17 Cb -0.04 0.07 1.59 0.00 0.51 0.00 0.00 43.02 45.15 1x60 s PHE 17 CO 0.03 -0.45 1.92 0.87 0.70 0.00 0.00 175.22 178.30 1x60 h LYS 18 N 3.50 0.00 -5.27 0.44 1.57 -1.83 0.58 116.57 115.56 1x60 h LYS 18 Ca -0.31 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.84 1x60 h LYS 18 Cb 1.19 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.30 1x60 h LYS 18 CO 0.44 0.00 -0.63 0.08 -0.57 0.00 0.00 179.45 178.78 1x60 s VAL 19 N -3.73 4.24 0.14 0.50 1.01 -1.26 -4.65 120.40 116.64 1x60 s VAL 19 Ca -0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1x60 s VAL 19 Cb 0.09 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1x60 s VAL 19 CO 0.30 0.47 1.44 0.50 0.00 0.00 0.00 175.10 177.82 1x60 h LYS 20 N 6.80 0.91 -0.50 2.72 3.11 -1.96 -1.91 116.57 125.74 1x60 h LYS 20 Ca -0.34 -0.53 0.08 0.00 -2.81 0.00 0.00 60.65 57.06 1x60 h LYS 20 Cb 1.18 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.43 1x60 h LYS 20 CO 0.65 1.17 0.34 0.00 -2.81 0.00 0.00 179.45 178.81 1x60 h ALA 21 N 0.73 2.03 0.02 5.00 0.00 -1.96 0.44 119.26 125.53 1x60 h ALA 21 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 21 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x60 h ALA 21 CO 0.11 -0.14 -0.96 -0.91 0.00 0.00 0.00 179.25 177.34 1x60 h ASN 22 N 0.33 0.42 1.26 0.00 4.21 -1.90 -2.53 115.58 117.37 1x60 h ASN 22 Ca 0.23 -0.36 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1x60 h ASN 22 Cb 0.46 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1x60 h ASN 22 CO -0.05 1.17 0.00 0.00 -1.29 0.00 0.00 177.43 177.26 1x60 h ALA 23 N 0.79 1.00 0.16 -0.83 0.00 0.15 -2.66 119.26 117.88 1x60 h ALA 23 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.51 1x60 h ALA 23 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1x60 h ALA 23 CO 0.16 0.00 -1.62 0.22 0.00 0.00 0.00 179.25 178.01 1x60 h ASP 24 N 0.00 0.51 -0.45 0.00 1.82 -0.15 -2.72 116.42 115.44 1x60 h ASP 24 Ca 0.00 -0.72 -0.09 0.00 -0.39 0.00 0.00 57.03 55.83 1x60 h ASP 24 Cb 0.63 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 1x60 h ASP 24 CO 0.00 1.60 -0.04 -1.28 -1.61 0.00 0.00 179.24 177.91 1x60 h SER 25 N 0.09 0.86 0.10 2.28 0.87 -1.37 -1.46 113.55 114.92 1x60 h SER 25 Ca -0.29 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1x60 h SER 25 Cb 2.06 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 1x60 h SER 25 CO 0.18 0.95 -0.05 0.25 -0.53 0.00 0.00 176.83 177.63 1x60 h LEU 26 N 0.81 -0.11 -2.43 2.23 5.85 -1.57 -2.37 115.31 117.72 1x60 h LEU 26 Ca 0.14 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1x60 h LEU 26 Cb 0.54 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1x60 h LEU 26 CO 0.03 0.18 0.11 0.00 -0.34 0.00 0.00 178.44 178.43 1x60 h ALA 27 N 0.45 1.52 -0.17 1.25 0.00 -1.35 -0.59 119.26 120.37 1x60 h ALA 27 Ca -0.01 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 27 Cb 0.34 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1x60 h ALA 27 CO 0.02 -0.15 -0.62 1.03 0.00 0.00 0.00 179.25 179.52 1x60 h SER 28 N 0.00 0.85 -0.22 0.00 0.87 -0.77 -2.57 113.55 111.70 1x60 h SER 28 Ca 0.04 -0.60 0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1x60 h SER 28 Cb 0.27 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1x60 h SER 28 CO -0.00 1.31 0.13 -0.55 -0.53 0.00 0.00 176.83 177.19 1x60 h ASN 29 N 0.44 0.21 -0.86 6.23 7.08 -0.64 -2.35 115.58 125.70 1x60 h ASN 29 Ca -0.03 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 1x60 h ASN 29 Cb 1.25 -0.05 -0.04 0.00 -2.08 0.00 0.00 38.32 37.40 1x60 h ASN 29 CO 0.13 0.16 0.54 0.00 -2.08 0.00 0.00 177.43 176.18 1x60 h ALA 30 N 1.10 1.09 -0.88 4.14 0.00 -1.55 -1.79 119.26 121.37 1x60 h ALA 30 Ca 0.09 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1x60 h ALA 30 Cb -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.37 1x60 h ALA 30 CO -0.04 0.53 0.57 1.49 0.00 0.00 0.00 179.25 181.80 1x60 h GLU 31 N 1.17 0.74 -0.25 0.00 4.22 -1.01 -1.15 114.58 118.30 1x60 h GLU 31 Ca 0.31 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.76 1x60 h GLU 31 Cb -0.08 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 28.96 1x60 h GLU 31 CO -0.06 0.49 -0.07 0.00 -2.18 0.00 0.00 179.01 177.19 1x60 h ALA 32 N 1.59 0.16 0.00 2.92 0.00 -0.82 0.18 119.26 123.29 1x60 h ALA 32 Ca 0.43 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.59 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x60 h ALA 32 CO -0.19 -0.47 -0.09 0.87 0.00 0.00 0.00 179.25 179.36 1x60 h LYS 33 N -0.01 0.00 0.00 0.00 1.79 -1.22 -3.45 116.57 113.68 1x60 h LYS 33 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1x60 h LYS 33 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1x60 h LYS 33 CO -0.26 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.62 1x60 n GLY 34 N -1.14 1.87 3.92 3.86 0.00 0.65 -5.13 105.19 109.21 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 3.37 -0.83 1.61 0.08 -0.80 -4.98 117.98 114.42 1x60 s PHE 35 Ca 0.00 -0.02 -0.21 0.00 0.12 0.00 0.00 56.93 56.83 1x60 s PHE 35 Cb 0.00 -1.55 0.10 0.00 -0.57 0.00 0.00 43.02 41.00 1x60 s PHE 35 CO 0.00 0.48 1.10 0.34 -0.10 0.00 0.00 175.22 177.03 1x60 s ASP 36 N -3.77 6.44 0.57 1.36 -1.08 -1.26 -3.95 116.67 114.98 1x60 s ASP 36 Ca 0.34 -1.57 -0.13 0.00 -0.52 0.00 0.00 52.55 50.67 1x60 s ASP 36 Cb -0.09 -2.43 -0.05 0.00 -1.46 0.00 0.00 42.92 38.89 1x60 s ASP 36 CO 0.28 -1.26 1.00 -0.94 0.52 0.00 0.00 175.17 174.77 1x60 s SER 37 N 3.79 6.38 -0.24 -0.34 1.04 -1.26 -2.31 113.70 120.77 1x60 s SER 37 Ca 0.30 1.45 -0.23 0.00 0.48 0.00 0.00 55.95 57.94 1x60 s SER 37 Cb -0.09 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1x60 s SER 37 CO -0.02 -0.75 0.66 -0.51 0.98 0.00 0.00 173.24 173.60 1x60 s ILE 38 N -2.95 0.00 -0.22 -1.02 2.07 0.56 -4.95 121.20 114.70 1x60 s ILE 38 Ca 0.56 -0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.79 1x60 s ILE 38 Cb -0.11 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.58 1x60 s ILE 38 CO 0.45 -0.00 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.66 1x60 s VAL 39 N 0.24 2.51 -0.15 4.00 1.01 -1.25 -1.14 120.40 125.62 1x60 s VAL 39 Ca -0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1x60 s VAL 39 Cb -0.04 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1x60 s VAL 39 CO 0.02 0.36 -0.14 -0.22 0.00 0.00 0.00 175.10 175.12 1x60 s LEU 40 N 1.31 2.60 -0.38 3.92 2.96 -0.67 -4.90 118.68 123.53 1x60 s LEU 40 Ca 0.02 -0.41 -0.23 0.00 -0.22 0.00 0.00 54.13 53.29 1x60 s LEU 40 Cb -0.15 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1x60 s LEU 40 CO -0.08 0.11 0.76 -0.22 -1.32 0.00 0.00 176.35 175.60 1x60 s LEU 41 N 0.68 4.16 0.36 -0.68 2.96 -1.26 -0.72 118.68 124.19 1x60 s LEU 41 Ca -0.07 0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1x60 s LEU 41 Cb -0.15 -2.99 -0.00 0.00 0.50 0.00 0.00 46.19 43.55 1x60 s LEU 41 CO 0.02 -0.74 0.50 -1.59 -1.32 0.00 0.00 176.35 173.22 1x60 s LYS 42 N 3.08 3.01 0.00 1.98 0.00 0.20 -4.93 119.74 123.08 1x60 s LYS 42 Ca 0.30 -1.10 -0.11 0.00 0.00 0.00 0.00 55.97 55.06 1x60 s LYS 42 Cb -0.13 -2.79 -0.13 0.00 0.00 0.00 0.00 37.83 34.78 1x60 s LYS 42 CO 0.17 -0.05 0.98 -3.47 0.00 0.00 0.00 175.35 172.98 1x60 n ASP 43 N -1.70 0.20 0.00 0.03 -0.08 -1.26 -2.00 116.55 111.73 1x60 n ASP 43 Ca 0.03 -1.72 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 1x60 n ASP 43 Cb 0.58 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x60 n GLY 44 N 4.04 1.28 3.20 0.27 0.00 -1.26 -5.14 105.19 107.58 1x60 n GLY 44 Ca 0.16 0.00 -0.09 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 1.62 -0.13 0.99 1.43 -0.85 -4.59 118.68 117.15 1x60 s LEU 45 Ca 0.00 -0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1x60 s LEU 45 Cb 0.00 0.65 -0.03 0.00 0.03 0.00 0.00 46.19 46.85 1x60 s LEU 45 CO 0.00 -0.75 -0.06 -0.31 0.23 0.00 0.00 176.35 175.46 1x60 s TYR 46 N -3.97 2.96 0.05 0.29 1.51 0.20 0.62 117.35 119.01 1x60 s TYR 46 Ca 0.16 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1x60 s TYR 46 Cb 0.06 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1x60 s TYR 46 CO -0.03 0.02 0.03 0.15 -1.11 0.00 0.00 175.55 174.61 1x60 s LYS 47 N 0.08 2.78 -0.31 -0.62 3.01 0.11 0.13 119.74 124.92 1x60 s LYS 47 Ca -0.02 -0.68 0.03 0.00 -1.01 0.00 0.00 55.97 54.30 1x60 s LYS 47 Cb -0.14 -2.67 0.08 0.00 -1.01 0.00 0.00 37.83 34.09 1x60 s LYS 47 CO 0.03 0.59 -0.02 0.08 0.51 0.00 0.00 175.35 176.55 1x60 s VAL 48 N -1.24 2.20 -0.05 3.17 1.01 0.16 -1.66 120.40 123.98 1x60 s VAL 48 Ca 0.24 -2.03 0.01 0.00 0.00 0.00 0.00 61.98 60.20 1x60 s VAL 48 Cb -0.12 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1x60 s VAL 48 CO 0.16 -0.36 -0.05 -1.58 0.00 0.00 0.00 175.10 173.27 1x60 s GLN 49 N 1.00 2.76 -0.06 2.72 0.74 -0.29 -1.95 119.66 124.58 1x60 s GLN 49 Ca 0.03 -0.56 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 1x60 s GLN 49 Cb -0.19 -2.62 0.03 0.00 1.10 0.00 0.00 33.01 31.32 1x60 s GLN 49 CO -0.07 0.66 -0.01 0.96 -0.55 0.00 0.00 175.29 176.27 1x60 s ILE 50 N -0.89 0.41 0.00 -2.34 -5.25 0.33 -0.32 121.20 113.15 1x60 s ILE 50 Ca 0.14 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.84 1x60 s ILE 50 Cb -0.11 -0.52 0.00 0.00 2.95 0.00 0.00 42.46 44.77 1x60 s ILE 50 CO 0.04 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.73 -2.73 2.84 6.27 0.00 -0.98 -2.98 105.19 112.35 1x60 n GLY 51 Ca -0.14 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 1.36 0.31 4.61 0.00 -1.26 -0.67 121.76 126.10 1x60 s ALA 52 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1x60 s ALA 52 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 1x60 s ALA 52 CO 0.00 -0.97 0.07 -0.06 0.00 0.00 0.00 175.76 174.81 1x60 s PHE 53 N 1.69 1.83 -0.52 0.00 0.40 -0.22 -4.99 117.98 116.16 1x60 s PHE 53 Ca -0.01 -1.04 0.24 0.00 -0.60 0.00 0.00 56.93 55.52 1x60 s PHE 53 Cb -0.16 -1.16 0.52 0.00 0.51 0.00 0.00 43.02 42.73 1x60 s PHE 53 CO -0.07 -0.11 1.67 1.03 0.70 0.00 0.00 175.22 178.44 1x60 h SER 54 N 2.18 0.00 -3.97 1.36 0.87 -1.94 -2.22 113.55 109.82 1x60 h SER 54 Ca -0.40 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.48 1x60 h SER 54 Cb 1.25 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.66 0.00 -0.79 -0.44 -0.53 0.00 0.00 176.83 175.73 1x60 s SER 55 N -5.64 3.83 0.26 6.23 0.01 -1.26 -4.63 113.70 112.50 1x60 s SER 55 Ca 0.08 -0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 1x60 s SER 55 Cb 0.07 -0.92 0.32 0.00 0.21 0.00 0.00 66.02 65.70 1x60 s SER 55 CO 0.64 0.30 1.89 0.50 0.41 0.00 0.00 173.24 176.98 1x60 h LYS 56 N 5.65 1.13 -1.34 12.44 3.64 -1.89 -2.48 116.57 133.72 1x60 h LYS 56 Ca -0.41 -0.13 0.39 0.00 -1.27 0.00 0.00 60.65 59.23 1x60 h LYS 56 Cb 1.16 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 1x60 h LYS 56 CO 0.50 0.83 0.94 0.38 -2.27 0.00 0.00 179.45 179.84 1x60 h ASP 57 N 1.14 0.10 -0.02 4.20 2.03 -1.98 0.38 116.42 122.28 1x60 h ASP 57 Ca 0.29 0.03 -0.02 0.00 -0.73 0.00 0.00 57.03 56.60 1x60 h ASP 57 Cb 0.03 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1x60 h ASP 57 CO -0.05 -0.01 -0.07 0.78 -1.03 0.00 0.00 179.24 178.86 1x60 h ASN 58 N 0.07 0.09 -0.72 4.15 2.35 -1.83 -2.70 115.58 116.98 1x60 h ASN 58 Ca 0.68 -0.65 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1x60 h ASN 58 Cb 2.50 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 40.79 1x60 h ASN 58 CO -0.11 0.73 0.42 0.00 -1.65 0.00 0.00 177.43 176.83 1x60 h ALA 59 N 0.36 0.97 -0.06 -0.83 0.00 -0.39 -0.53 119.26 118.79 1x60 h ALA 59 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 59 Cb 0.72 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x60 h ALA 59 CO 0.01 0.13 0.04 -0.44 0.00 0.00 0.00 179.25 178.99 1x60 h ASP 60 N 0.79 0.07 -0.33 0.00 5.19 -1.10 0.31 116.42 121.35 1x60 h ASP 60 Ca 0.32 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1x60 h ASP 60 Cb 0.16 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 1x60 h ASP 60 CO -0.17 0.10 0.17 0.74 -3.12 0.00 0.00 179.24 176.97 1x60 h THR 61 N 0.04 1.13 0.11 0.35 2.02 -1.11 -0.02 112.91 115.42 1x60 h THR 61 Ca 0.02 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1x60 h THR 61 Cb 0.04 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1x60 h THR 61 CO -0.00 0.14 -0.05 0.25 0.37 0.00 0.00 175.52 176.23 1x60 h LEU 62 N 0.50 -0.12 0.35 2.58 7.12 -0.65 -2.48 115.31 122.61 1x60 h LEU 62 Ca 0.13 -0.43 -0.00 0.00 0.13 0.00 0.00 57.88 57.71 1x60 h LEU 62 Cb 0.05 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 1x60 h LEU 62 CO -0.02 0.42 -0.42 0.00 -0.13 0.00 0.00 178.44 178.29 1x60 h ALA 63 N 0.03 -0.88 -0.96 1.25 0.00 -0.12 0.15 119.26 118.74 1x60 h ALA 63 Ca -0.01 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.95 1x60 h ALA 63 Cb 0.54 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1x60 h ALA 63 CO 0.02 -1.04 0.61 0.00 0.00 0.00 0.00 179.25 178.84 1x60 h ALA 64 N -0.44 1.88 -0.54 0.00 0.00 -1.12 0.45 119.26 119.50 1x60 h ALA 64 Ca -0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 64 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1x60 h ALA 64 CO -0.11 -0.20 0.03 -0.09 0.00 0.00 0.00 179.25 178.89 1x60 h ARG 65 N 0.64 0.90 -0.47 0.00 2.43 -0.81 0.01 114.38 117.08 1x60 h ARG 65 Ca 0.52 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.38 1x60 h ARG 65 Cb 0.95 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1x60 h ARG 65 CO -0.27 0.87 0.05 0.00 -1.51 0.00 0.00 179.97 179.11 1x60 h ALA 66 N 1.19 0.63 -0.32 2.80 0.00 0.26 0.93 119.26 124.76 1x60 h ALA 66 Ca 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 66 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x60 h ALA 66 CO 0.02 0.38 0.18 0.87 0.00 0.00 0.00 179.25 180.70 1x60 h LYS 67 N 0.66 0.44 0.00 0.00 1.79 0.42 1.31 116.57 121.20 1x60 h LYS 67 Ca 0.14 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1x60 h LYS 67 Cb 0.43 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1x60 h LYS 67 CO 0.01 0.36 -0.28 -0.97 -1.08 0.00 0.00 179.45 177.50 1x60 h ASN 68 N 0.40 0.00 1.43 0.86 -1.24 -0.77 -2.51 115.58 113.74 1x60 h ASN 68 Ca 0.11 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 1x60 h ASN 68 Cb 0.04 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1x60 h ASN 68 CO -0.02 0.28 -0.25 0.00 -1.29 0.00 0.00 177.43 176.15 1x60 h ALA 69 N 1.72 0.89 0.00 1.57 0.00 0.20 -3.47 119.26 120.18 1x60 h ALA 69 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x60 h ALA 69 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x60 h ALA 69 CO 0.04 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1x60 n GLY 70 N 0.79 1.76 3.15 0.00 0.00 0.53 -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 1.17 -1.21 1.61 0.08 0.42 -4.98 117.98 113.07 1x60 s PHE 71 Ca 0.00 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.68 0.20 0.00 -0.57 0.00 0.00 43.02 41.97 1x60 s PHE 71 CO 0.00 0.04 1.58 -3.47 -0.10 0.00 0.00 175.22 173.27 1x60 n ASP 72 N 1.57 5.35 -4.80 1.36 2.03 -1.26 -1.31 116.55 119.49 1x60 n ASP 72 Ca -0.20 -3.09 -0.38 0.00 0.52 0.00 0.00 54.79 51.64 1x60 n ASP 72 Cb 0.54 -1.48 -0.06 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.29 3.46 0.08 -1.67 0.00 -1.26 -4.08 121.76 118.58 1x60 s ALA 73 Ca 0.39 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1x60 s ALA 73 Cb 0.02 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1x60 s ALA 73 CO 0.01 0.33 -0.10 0.96 0.00 0.00 0.00 175.76 176.95 1x60 s ILE 74 N -1.28 0.88 -0.12 0.00 -5.25 0.16 -4.70 121.20 110.88 1x60 s ILE 74 Ca 0.37 -1.44 -0.04 0.00 -0.99 0.00 0.00 60.65 58.55 1x60 s ILE 74 Cb -0.20 -1.13 -0.04 0.00 2.95 0.00 0.00 42.46 44.04 1x60 s ILE 74 CO 0.23 -0.45 0.04 -0.69 -1.79 0.00 0.00 174.94 172.28 1x60 s VAL 75 N -1.97 4.65 -0.01 8.37 1.01 -1.26 0.60 120.40 131.79 1x60 s VAL 75 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1x60 s VAL 75 Cb -0.06 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1x60 s VAL 75 CO 0.00 0.57 -0.03 0.27 0.00 0.00 0.00 175.10 175.92 1x60 s ILE 76 N -0.57 0.29 -0.44 2.22 -4.36 -0.51 -4.99 121.20 112.85 1x60 s ILE 76 Ca 0.10 -0.10 -0.13 0.00 -0.26 0.00 0.00 60.65 60.27 1x60 s ILE 76 Cb -0.12 -0.29 0.06 0.00 1.25 0.00 0.00 42.46 43.36 1x60 s ILE 76 CO 0.02 0.11 0.32 -0.22 0.24 0.00 0.00 174.94 175.42 1x60 s LEU 77 N 0.29 5.32 -0.14 0.37 2.96 -1.25 -2.45 118.68 123.77 1x60 s LEU 77 Ca -0.03 -1.30 -0.06 0.00 -0.22 0.00 0.00 54.13 52.52 1x60 s LEU 77 Cb -0.06 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1x60 s LEU 77 CO -0.01 -0.56 0.07 -1.61 -1.32 0.00 0.00 176.35 172.93 1x60 s GLU 78 N 1.57 3.58 0.00 1.98 2.02 -0.76 -4.79 118.70 122.30 1x60 s GLU 78 Ca 0.04 -0.29 0.25 0.00 0.02 0.00 0.00 54.97 54.99 1x60 s GLU 78 Cb -0.23 -3.11 0.46 0.00 0.10 0.00 0.00 34.13 31.35 1x60 s GLU 78 CO 0.06 0.54 1.41 0.43 0.02 0.00 0.00 175.26 177.71