#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 3.82 0.12 1.96 1.02 -1.26 -4.82 119.74 120.58 1x60 s LYS 2 Ca 0.00 -3.14 0.04 0.00 0.02 0.00 0.00 55.97 52.90 1x60 s LYS 2 Cb 0.00 -4.34 -0.17 0.00 -0.52 0.00 0.00 37.83 32.80 1x60 s LYS 2 CO 0.00 -1.25 1.28 0.87 -0.92 0.00 0.00 175.35 175.33 1x60 h LYS 3 N 6.60 0.08 -5.59 1.68 1.57 -2.11 -3.46 116.57 115.33 1x60 h LYS 3 Ca 0.16 -0.12 -0.52 0.00 -1.87 0.00 0.00 60.65 58.30 1x60 h LYS 3 Cb 0.88 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.09 1x60 h LYS 3 CO 0.93 1.02 -0.67 -0.08 -0.57 0.00 0.00 179.45 180.08 1x60 s THR 4 N -2.80 1.76 0.38 -0.16 -1.32 -1.26 -5.04 115.64 107.21 1x60 s THR 4 Ca -0.01 -2.14 0.14 0.00 -1.21 0.00 0.00 61.69 58.47 1x60 s THR 4 Cb 0.10 -2.50 0.12 0.00 -1.51 0.00 0.00 72.50 68.71 1x60 s THR 4 CO 0.83 -0.27 1.87 0.28 -2.21 0.00 0.00 174.62 175.12 1x60 h SER 5 N 2.22 0.00 -4.23 8.08 0.02 -2.02 -3.49 113.55 114.13 1x60 h SER 5 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1x60 h SER 5 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1x60 h SER 5 CO 0.68 0.32 -0.81 -0.24 -1.14 0.00 0.00 176.83 175.64 1x60 n SER 6 N -4.11 -8.17 0.00 3.07 2.88 -1.26 -5.04 113.62 100.99 1x60 n SER 6 Ca -0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1x60 n SER 6 Cb 0.37 -4.22 0.00 0.00 -0.75 0.00 0.00 64.21 59.60 1x60 n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x60 n SER 7 N 0.78 0.00 -0.71 -3.46 7.64 -1.26 -5.17 113.62 111.44 1x60 n SER 7 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x60 n SER 7 Cb 0.00 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.81 1.16 3.01 0.23 0.00 -1.25 -4.21 105.19 103.33 1x60 n GLY 8 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 1.39 -0.45 0.99 1.43 0.29 -4.89 118.68 117.45 1x60 s LEU 9 Ca 0.00 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 1x60 s LEU 9 Cb 0.00 0.47 0.06 0.00 0.03 0.00 0.00 46.19 46.75 1x60 s LEU 9 CO 0.00 -0.06 0.35 -0.31 0.23 0.00 0.00 176.35 176.56 1x60 s TYR 10 N 0.18 3.26 0.15 0.29 2.02 -0.81 -0.97 117.35 121.48 1x60 s TYR 10 Ca -0.01 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 55.82 1x60 s TYR 10 Cb -0.02 -2.98 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1x60 s TYR 10 CO -0.00 -0.76 -0.19 0.15 -1.57 0.00 0.00 175.55 173.18 1x60 s LYS 11 N 1.61 1.24 -0.08 -0.62 3.01 -1.02 -1.02 119.74 122.87 1x60 s LYS 11 Ca 0.04 -1.36 -0.02 0.00 -1.01 0.00 0.00 55.97 53.62 1x60 s LYS 11 Cb -0.23 -1.33 -0.03 0.00 -1.01 0.00 0.00 37.83 35.23 1x60 s LYS 11 CO 0.07 0.28 0.01 0.08 0.51 0.00 0.00 175.35 176.29 1x60 s VAL 12 N -1.90 4.37 -0.03 3.17 1.01 0.06 -1.23 120.40 125.86 1x60 s VAL 12 Ca 0.14 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1x60 s VAL 12 Cb -0.06 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1x60 s VAL 12 CO 0.06 0.58 -0.07 -1.58 0.00 0.00 0.00 175.10 174.09 1x60 s GLN 13 N -0.97 0.83 0.00 2.72 0.74 0.19 0.12 119.66 123.30 1x60 s GLN 13 Ca 0.14 -0.24 0.13 0.00 0.05 0.00 0.00 55.36 55.44 1x60 s GLN 13 Cb -0.11 -0.80 -0.02 0.00 1.10 0.00 0.00 33.01 33.18 1x60 s GLN 13 CO 0.03 0.07 0.73 0.44 -0.55 0.00 0.00 175.29 176.01 1x60 n ILE 14 N 3.39 0.00 0.00 -2.34 -0.00 -0.85 0.42 119.36 119.98 1x60 n ILE 14 Ca -0.19 -0.34 0.00 0.00 -0.00 0.00 0.00 62.75 62.22 1x60 n ILE 14 Cb 0.54 1.14 0.00 0.00 -0.00 0.00 0.00 39.64 41.32 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 0.84 3.29 3.28 0.00 -1.23 -4.53 105.19 107.91 1x60 n GLY 15 Ca 0.05 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.01 4.61 0.00 -1.26 0.27 121.76 122.39 1x60 s ALA 16 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1x60 s ALA 16 Cb 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1x60 s ALA 16 CO 0.00 -0.20 0.23 -0.06 0.00 0.00 0.00 175.76 175.73 1x60 s PHE 17 N -0.00 -0.08 -0.55 0.00 0.40 0.37 -4.89 117.98 113.22 1x60 s PHE 17 Ca -0.02 0.10 0.14 0.00 -0.60 0.00 0.00 56.93 56.55 1x60 s PHE 17 Cb -0.03 0.03 0.72 0.00 0.51 0.00 0.00 43.02 44.25 1x60 s PHE 17 CO 0.01 -0.33 1.42 0.36 0.70 0.00 0.00 175.22 177.38 1x60 n LYS 18 N 1.42 0.09 -4.06 0.44 2.85 -1.26 0.76 118.16 118.40 1x60 n LYS 18 Ca -0.22 0.55 -0.35 0.00 -1.05 0.00 0.00 58.31 57.24 1x60 n LYS 18 Cb 0.56 -1.76 -0.12 0.00 -0.65 0.00 0.00 35.03 33.06 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1x60 s VAL 19 N -3.30 4.20 0.14 0.58 1.01 -1.26 -4.64 120.40 117.12 1x60 s VAL 19 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1x60 s VAL 19 Cb 0.05 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1x60 s VAL 19 CO 0.15 0.43 1.56 0.50 0.00 0.00 0.00 175.10 177.74 1x60 h LYS 20 N 7.31 0.84 -0.51 2.72 3.11 -1.96 -1.54 116.57 126.54 1x60 h LYS 20 Ca -0.36 -0.30 0.12 0.00 -2.81 0.00 0.00 60.65 57.30 1x60 h LYS 20 Cb 1.18 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.33 1x60 h LYS 20 CO 0.63 0.93 0.36 0.00 -2.81 0.00 0.00 179.45 178.56 1x60 h ALA 21 N 0.88 2.29 0.06 5.00 0.00 -1.96 0.45 119.26 125.99 1x60 h ALA 21 Ca 0.12 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 1x60 h ALA 21 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x60 h ALA 21 CO 0.04 -0.43 -1.07 -0.91 0.00 0.00 0.00 179.25 176.87 1x60 h ASN 22 N 0.14 0.35 1.40 0.00 2.35 -1.84 -2.57 115.58 115.41 1x60 h ASN 22 Ca 0.24 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1x60 h ASN 22 Cb 0.77 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1x60 h ASN 22 CO -0.03 1.21 -0.01 0.00 -1.65 0.00 0.00 177.43 176.95 1x60 h ALA 23 N 0.75 1.00 0.15 -0.83 0.00 0.62 -2.64 119.26 118.32 1x60 h ALA 23 Ca -0.09 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1x60 h ALA 23 Cb 1.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1x60 h ALA 23 CO 0.17 0.01 -1.61 0.22 0.00 0.00 0.00 179.25 178.04 1x60 h ASP 24 N 0.00 0.51 -0.47 0.00 1.82 -0.27 -2.73 116.42 115.28 1x60 h ASP 24 Ca -0.00 -0.71 -0.09 0.00 -0.39 0.00 0.00 57.03 55.84 1x60 h ASP 24 Cb 0.71 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1x60 h ASP 24 CO 0.00 1.59 -0.05 -1.28 -1.61 0.00 0.00 179.24 177.89 1x60 h SER 25 N 0.09 0.90 0.10 2.28 0.87 -1.40 -1.47 113.55 114.92 1x60 h SER 25 Ca -0.28 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1x60 h SER 25 Cb 2.06 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1x60 h SER 25 CO 0.18 0.99 -0.05 0.25 -0.53 0.00 0.00 176.83 177.66 1x60 h LEU 26 N 0.83 -0.12 -2.41 2.23 5.85 -1.57 -2.42 115.31 117.70 1x60 h LEU 26 Ca 0.15 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1x60 h LEU 26 Cb 0.56 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1x60 h LEU 26 CO 0.03 0.21 0.12 0.00 -0.34 0.00 0.00 178.44 178.46 1x60 h ALA 27 N 0.40 1.54 -0.16 1.25 0.00 -1.38 -0.65 119.26 120.25 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 0.37 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1x60 h ALA 27 CO 0.02 -0.16 -0.62 1.03 0.00 0.00 0.00 179.25 179.52 1x60 h SER 28 N 0.00 0.83 -0.33 0.00 0.87 -0.85 -2.57 113.55 111.51 1x60 h SER 28 Ca 0.04 -0.61 0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1x60 h SER 28 Cb 0.28 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1x60 h SER 28 CO -0.00 1.30 0.19 -0.55 -0.53 0.00 0.00 176.83 177.24 1x60 h ASN 29 N 0.41 0.31 -0.85 6.23 7.08 -0.65 -2.29 115.58 125.82 1x60 h ASN 29 Ca -0.03 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.17 1x60 h ASN 29 Cb 1.25 -0.06 -0.04 0.00 -2.08 0.00 0.00 38.32 37.39 1x60 h ASN 29 CO 0.13 0.23 0.47 0.00 -2.08 0.00 0.00 177.43 176.17 1x60 h ALA 30 N 1.14 1.09 -0.87 4.14 0.00 -1.54 -2.00 119.26 121.23 1x60 h ALA 30 Ca 0.13 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1x60 h ALA 30 Cb 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1x60 h ALA 30 CO -0.06 0.60 0.56 1.49 0.00 0.00 0.00 179.25 181.84 1x60 h GLU 31 N 1.18 0.73 -0.26 0.00 4.81 -0.99 -1.16 114.58 118.89 1x60 h GLU 31 Ca 0.30 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1x60 h GLU 31 Cb 0.03 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 1x60 h GLU 31 CO -0.05 0.48 -0.08 0.00 -0.73 0.00 0.00 179.01 178.63 1x60 h ALA 32 N 1.59 0.15 0.00 2.92 0.00 -0.87 0.24 119.26 123.29 1x60 h ALA 32 Ca 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.57 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x60 h ALA 32 CO -0.18 -0.49 -0.10 0.87 0.00 0.00 0.00 179.25 179.35 1x60 h LYS 33 N -0.03 0.00 0.00 0.00 1.79 -1.24 -3.45 116.57 113.63 1x60 h LYS 33 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 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 -0.29 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.59 1x60 n GLY 34 N -1.14 1.85 3.95 3.86 0.00 0.86 -5.13 105.19 109.44 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 3.46 -0.87 1.61 0.08 -0.83 -4.98 117.98 114.45 1x60 s PHE 35 Ca 0.00 0.07 -0.22 0.00 0.12 0.00 0.00 56.93 56.90 1x60 s PHE 35 Cb 0.00 -1.63 0.08 0.00 -0.57 0.00 0.00 43.02 40.90 1x60 s PHE 35 CO 0.00 0.49 1.19 -0.51 -0.10 0.00 0.00 175.22 176.29 1x60 s ASP 36 N -3.47 6.44 0.57 1.36 1.11 -1.26 -3.99 116.67 117.43 1x60 s ASP 36 Ca 0.34 -1.48 -0.13 0.00 0.18 0.00 0.00 52.55 51.46 1x60 s ASP 36 Cb -0.10 -2.47 -0.06 0.00 1.07 0.00 0.00 42.92 41.36 1x60 s ASP 36 CO 0.29 -1.35 1.00 -0.94 1.18 0.00 0.00 175.17 175.34 1x60 s SER 37 N 4.02 6.40 -0.23 0.27 1.04 -1.26 -2.10 113.70 121.83 1x60 s SER 37 Ca 0.34 1.46 -0.22 0.00 0.48 0.00 0.00 55.95 58.01 1x60 s SER 37 Cb -0.07 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1x60 s SER 37 CO -0.03 -0.73 0.62 -0.51 0.98 0.00 0.00 173.24 173.58 1x60 s ILE 38 N -2.92 0.00 -0.23 -1.02 2.07 0.81 -4.95 121.20 114.97 1x60 s ILE 38 Ca 0.56 -0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1x60 s ILE 38 Cb -0.11 -0.87 0.03 0.00 0.13 0.00 0.00 42.46 41.64 1x60 s ILE 38 CO 0.44 -0.00 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.67 1x60 s VAL 39 N 0.31 2.56 -0.20 4.00 1.01 -1.25 -1.11 120.40 125.72 1x60 s VAL 39 Ca -0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1x60 s VAL 39 Cb -0.04 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1x60 s VAL 39 CO 0.01 0.29 -0.03 -0.22 0.00 0.00 0.00 175.10 175.15 1x60 s LEU 40 N 1.29 3.07 -0.34 3.92 2.96 -0.75 -4.89 118.68 123.94 1x60 s LEU 40 Ca 0.01 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.41 1x60 s LEU 40 Cb -0.16 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1x60 s LEU 40 CO -0.07 0.05 0.75 -0.22 -1.32 0.00 0.00 176.35 175.53 1x60 s LEU 41 N 1.10 4.14 0.36 -0.68 2.96 -1.26 -0.83 118.68 124.47 1x60 s LEU 41 Ca 0.02 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 1x60 s LEU 41 Cb -0.15 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 1x60 s LEU 41 CO 0.00 -0.66 0.46 -1.59 -1.32 0.00 0.00 176.35 173.24 1x60 s LYS 42 N 2.96 2.95 0.00 1.98 0.00 0.22 -4.93 119.74 122.91 1x60 s LYS 42 Ca 0.30 -1.15 -0.13 0.00 0.00 0.00 0.00 55.97 54.99 1x60 s LYS 42 Cb -0.14 -2.72 -0.16 0.00 0.00 0.00 0.00 37.83 34.81 1x60 s LYS 42 CO 0.15 -0.03 1.09 -3.47 0.00 0.00 0.00 175.35 173.09 1x60 n ASP 43 N -1.64 0.30 0.00 0.03 2.03 -1.26 -2.05 116.55 113.96 1x60 n ASP 43 Ca 0.02 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1x60 n ASP 43 Cb 0.59 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 4.21 1.29 3.12 0.27 0.00 -1.26 -5.13 105.19 107.69 1x60 n GLY 44 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 2.19 -0.11 0.99 1.43 -0.87 -4.49 118.68 117.82 1x60 s LEU 45 Ca 0.00 -1.00 -0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1x60 s LEU 45 Cb 0.00 0.34 -0.02 0.00 0.03 0.00 0.00 46.19 46.54 1x60 s LEU 45 CO 0.00 -0.65 -0.10 -0.31 0.23 0.00 0.00 176.35 175.52 1x60 s TYR 46 N -3.94 2.87 0.06 0.29 1.51 0.23 0.70 117.35 119.07 1x60 s TYR 46 Ca 0.10 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1x60 s TYR 46 Cb 0.07 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1x60 s TYR 46 CO -0.08 0.01 0.04 0.15 -1.11 0.00 0.00 175.55 174.56 1x60 s LYS 47 N -0.07 2.78 -0.33 -0.62 3.01 -0.01 0.14 119.74 124.63 1x60 s LYS 47 Ca -0.01 -0.71 0.03 0.00 -1.01 0.00 0.00 55.97 54.28 1x60 s LYS 47 Cb -0.14 -2.67 0.10 0.00 -1.01 0.00 0.00 37.83 34.11 1x60 s LYS 47 CO 0.03 0.57 0.04 0.08 0.51 0.00 0.00 175.35 176.59 1x60 s VAL 48 N -1.30 2.12 -0.05 3.17 1.01 0.14 -1.81 120.40 123.68 1x60 s VAL 48 Ca 0.26 -2.18 -0.00 0.00 0.00 0.00 0.00 61.98 60.06 1x60 s VAL 48 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1x60 s VAL 48 CO 0.18 -0.56 -0.00 -1.58 0.00 0.00 0.00 175.10 173.14 1x60 s GLN 49 N 1.00 2.88 -0.06 2.72 0.74 -0.27 -2.02 119.66 124.66 1x60 s GLN 49 Ca 0.09 -0.50 -0.01 0.00 0.05 0.00 0.00 55.36 54.99 1x60 s GLN 49 Cb -0.19 -2.73 0.03 0.00 1.10 0.00 0.00 33.01 31.22 1x60 s GLN 49 CO -0.09 0.67 -0.00 0.96 -0.55 0.00 0.00 175.29 176.27 1x60 s ILE 50 N -0.97 0.34 -0.00 -2.34 -5.25 0.33 -0.13 121.20 113.18 1x60 s ILE 50 Ca 0.16 0.09 -0.00 0.00 -0.99 0.00 0.00 60.65 59.91 1x60 s ILE 50 Cb -0.11 -0.47 0.00 0.00 2.95 0.00 0.00 42.46 44.83 1x60 s ILE 50 CO 0.06 0.23 0.00 0.61 -1.79 0.00 0.00 174.94 174.05 1x60 n GLY 51 N 4.77 -2.87 2.89 6.27 0.00 -0.89 -2.99 105.19 112.35 1x60 n GLY 51 Ca -0.14 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 1.59 0.32 4.61 0.00 -1.26 -0.76 121.76 126.26 1x60 s ALA 52 Ca -0.00 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1x60 s ALA 52 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1x60 s ALA 52 CO 0.00 -0.98 0.08 -0.06 0.00 0.00 0.00 175.76 174.81 1x60 s PHE 53 N 1.58 1.81 -0.57 0.00 0.40 -0.19 -4.99 117.98 116.03 1x60 s PHE 53 Ca -0.02 -1.09 0.24 0.00 -0.60 0.00 0.00 56.93 55.47 1x60 s PHE 53 Cb -0.17 -1.15 0.54 0.00 0.51 0.00 0.00 43.02 42.75 1x60 s PHE 53 CO -0.07 -0.15 1.65 1.03 0.70 0.00 0.00 175.22 178.37 1x60 h SER 54 N 2.12 0.00 -3.52 1.36 0.87 -1.94 -2.14 113.55 110.29 1x60 h SER 54 Ca -0.39 -0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.49 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 0.64 0.00 -0.77 -0.55 -0.53 0.00 0.00 176.83 175.63 1x60 s SER 55 N -5.34 3.96 0.32 6.23 0.15 -1.26 -4.65 113.70 113.11 1x60 s SER 55 Ca 0.08 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1x60 s SER 55 Cb 0.09 -1.39 0.58 0.00 -1.71 0.00 0.00 66.02 63.58 1x60 s SER 55 CO 0.64 0.21 1.95 0.50 1.20 0.00 0.00 173.24 177.74 1x60 h LYS 56 N 6.34 0.93 -1.28 5.44 3.64 -1.89 -1.71 116.57 128.04 1x60 h LYS 56 Ca -0.31 -0.06 0.37 0.00 -1.27 0.00 0.00 60.65 59.39 1x60 h LYS 56 Cb 1.20 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.74 1x60 h LYS 56 CO 0.54 0.62 0.89 0.22 -2.27 0.00 0.00 179.45 179.44 1x60 h ASP 57 N 0.96 0.13 -0.01 4.20 3.58 -1.97 0.34 116.42 123.64 1x60 h ASP 57 Ca 0.34 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 1x60 h ASP 57 Cb 0.12 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1x60 h ASP 57 CO -0.11 -0.01 -0.03 0.78 -2.88 0.00 0.00 179.24 177.00 1x60 h ASN 58 N 0.09 0.04 -0.59 2.28 -0.26 -1.70 -2.65 115.58 112.80 1x60 h ASN 58 Ca 0.65 -0.63 0.04 0.00 -0.56 0.00 0.00 56.30 55.81 1x60 h ASN 58 Cb 2.35 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 39.55 1x60 h ASN 58 CO -0.12 0.66 0.33 0.00 -1.06 0.00 0.00 177.43 177.24 1x60 h ALA 59 N 0.38 0.77 0.02 -0.83 0.00 -0.48 -0.64 119.26 118.48 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 0.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1x60 h ALA 59 CO 0.01 0.01 -0.02 -0.44 0.00 0.00 0.00 179.25 178.81 1x60 h ASP 60 N 0.63 -0.05 -0.52 0.00 3.32 -1.02 0.30 116.42 119.08 1x60 h ASP 60 Ca 0.26 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1x60 h ASP 60 Cb 0.12 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1x60 h ASP 60 CO -0.15 -0.03 0.34 0.74 -1.72 0.00 0.00 179.24 178.41 1x60 h THR 61 N -0.05 1.14 0.10 0.35 2.02 -1.15 -0.49 112.91 114.83 1x60 h THR 61 Ca 0.00 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1x60 h THR 61 Cb 0.05 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1x60 h THR 61 CO -0.01 0.14 -0.05 0.25 0.37 0.00 0.00 175.52 176.22 1x60 h LEU 62 N 0.71 -0.12 0.38 2.58 7.12 -0.64 -2.44 115.31 122.90 1x60 h LEU 62 Ca 0.19 -0.40 -0.00 0.00 0.13 0.00 0.00 57.88 57.80 1x60 h LEU 62 Cb -0.07 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 1x60 h LEU 62 CO -0.04 0.37 -0.46 0.00 -0.13 0.00 0.00 178.44 178.18 1x60 h ALA 63 N 0.16 -0.98 -0.92 1.25 0.00 -0.08 0.16 119.26 118.85 1x60 h ALA 63 Ca -0.01 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 63 Cb 0.51 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1x60 h ALA 63 CO 0.02 -1.10 0.60 0.00 0.00 0.00 0.00 179.25 178.77 1x60 h ALA 64 N -0.59 2.02 -0.59 0.00 0.00 -1.20 0.41 119.26 119.32 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 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1x60 h ALA 64 CO -0.11 -0.32 0.01 -0.09 0.00 0.00 0.00 179.25 178.75 1x60 h ARG 65 N 0.54 1.01 -0.67 0.00 2.43 -0.78 -0.56 114.38 116.35 1x60 h ARG 65 Ca 0.49 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1x60 h ARG 65 Cb 1.02 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1x60 h ARG 65 CO -0.22 0.98 0.21 0.00 -1.51 0.00 0.00 179.97 179.43 1x60 h ALA 66 N 1.07 0.88 -0.35 2.80 0.00 0.26 0.88 119.26 124.80 1x60 h ALA 66 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 66 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x60 h ALA 66 CO 0.03 0.55 0.18 0.87 0.00 0.00 0.00 179.25 180.88 1x60 h LYS 67 N 0.97 0.49 0.00 0.00 1.57 0.27 1.32 116.57 121.19 1x60 h LYS 67 Ca 0.22 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1x60 h LYS 67 Cb 0.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1x60 h LYS 67 CO -0.01 0.42 -0.28 -0.97 -0.57 0.00 0.00 179.45 178.05 1x60 h ASN 68 N 0.44 0.00 1.44 0.86 -0.73 -0.74 -2.50 115.58 114.34 1x60 h ASN 68 Ca 0.12 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.24 1x60 h ASN 68 Cb 0.08 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1x60 h ASN 68 CO -0.02 0.28 -0.27 0.00 -0.37 0.00 0.00 177.43 177.05 1x60 h ALA 69 N 1.72 0.87 0.00 1.57 0.00 0.19 -3.47 119.26 120.14 1x60 h ALA 69 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1x60 h ALA 69 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x60 h ALA 69 CO 0.04 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1x60 n GLY 70 N 0.83 1.76 3.14 0.00 0.00 0.51 -5.04 105.19 106.39 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 1.12 -1.21 1.61 0.08 0.42 -4.98 117.98 113.02 1x60 s PHE 71 Ca 0.00 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 1x60 s PHE 71 Cb 0.00 -0.65 0.20 0.00 -0.57 0.00 0.00 43.02 42.00 1x60 s PHE 71 CO 0.00 0.03 1.59 -3.47 -0.10 0.00 0.00 175.22 173.27 1x60 n ASP 72 N 1.63 5.39 -4.80 1.36 -0.08 -1.26 -1.35 116.55 117.44 1x60 n ASP 72 Ca -0.20 -3.11 -0.37 0.00 -1.51 0.00 0.00 54.79 49.60 1x60 n ASP 72 Cb 0.55 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 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 0.09 3.42 0.07 -1.67 0.00 -1.26 -4.10 121.76 118.31 1x60 s ALA 73 Ca 0.38 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1x60 s ALA 73 Cb 0.03 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1x60 s ALA 73 CO 0.01 0.31 -0.10 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.38 0.80 -0.14 0.00 -5.25 0.17 -4.69 121.20 110.71 1x60 s ILE 74 Ca 0.40 -1.42 -0.06 0.00 -0.99 0.00 0.00 60.65 58.58 1x60 s ILE 74 Cb -0.19 -1.08 -0.04 0.00 2.95 0.00 0.00 42.46 44.10 1x60 s ILE 74 CO 0.23 -0.47 0.08 -0.69 -1.79 0.00 0.00 174.94 172.30 1x60 s VAL 75 N -1.99 4.99 -0.02 8.37 1.01 -1.26 0.54 120.40 132.03 1x60 s VAL 75 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1x60 s VAL 75 Cb -0.06 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1x60 s VAL 75 CO 0.00 0.55 -0.03 -0.51 0.00 0.00 0.00 175.10 175.11 1x60 s ILE 76 N -0.45 0.36 -0.49 2.22 2.07 -0.37 -4.99 121.20 119.55 1x60 s ILE 76 Ca 0.10 -0.11 -0.18 0.00 -1.41 0.00 0.00 60.65 59.05 1x60 s ILE 76 Cb -0.12 -0.36 0.06 0.00 0.13 0.00 0.00 42.46 42.17 1x60 s ILE 76 CO 0.02 0.14 0.54 -0.22 -1.91 0.00 0.00 174.94 173.51 1x60 s LEU 77 N 0.41 5.17 -0.23 8.50 2.96 -1.25 -2.42 118.68 131.81 1x60 s LEU 77 Ca -0.04 -1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 52.73 1x60 s LEU 77 Cb -0.08 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 1x60 s LEU 77 CO -0.00 -0.80 0.19 -1.61 -1.32 0.00 0.00 176.35 172.80 1x60 s GLU 78 N 2.29 4.09 0.00 1.98 2.02 -0.14 -4.77 118.70 124.17 1x60 s GLU 78 Ca 0.11 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1x60 s GLU 78 Cb -0.21 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.51 1x60 s GLU 78 CO 0.10 0.07 0.51 0.43 0.02 0.00 0.00 175.26 176.40