#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 0.00 -3.37 1.47 5.02 -1.26 -4.98 118.16 115.05 1x60 n LYS 2 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 1x60 n LYS 2 Cb 0.00 -0.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.72 1x60 n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x60 s LYS 3 N -1.76 3.71 -0.18 1.97 2.20 -1.26 -4.98 119.74 119.44 1x60 s LYS 3 Ca 0.00 -2.74 -0.02 0.00 -0.36 0.00 0.00 55.97 52.85 1x60 s LYS 3 Cb 0.00 -4.41 0.06 0.00 -1.51 0.00 0.00 37.83 31.97 1x60 s LYS 3 CO 0.00 -1.27 0.02 -0.08 -0.36 0.00 0.00 175.35 173.67 1x60 s THR 4 N -0.36 0.58 0.04 3.43 -1.32 -1.26 -5.13 115.64 111.61 1x60 s THR 4 Ca 0.22 -0.52 0.09 0.00 -1.21 0.00 0.00 61.69 60.27 1x60 s THR 4 Cb -0.11 -1.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1x60 s THR 4 CO -0.08 -0.14 -0.25 -0.44 -2.21 0.00 0.00 174.62 171.50 1x60 s SER 5 N 1.84 3.01 -0.12 8.08 0.01 -1.26 -5.03 113.70 120.23 1x60 s SER 5 Ca -0.00 -0.56 0.16 0.00 1.31 0.00 0.00 55.95 56.85 1x60 s SER 5 Cb -0.17 -0.28 -0.23 0.00 0.21 0.00 0.00 66.02 65.56 1x60 s SER 5 CO -0.08 0.25 0.17 -1.54 0.41 0.00 0.00 173.24 172.45 1x60 n SER 6 N 1.87 0.97 -2.63 2.44 3.41 -1.26 -5.03 113.62 113.40 1x60 n SER 6 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 1x60 n SER 6 Cb 0.52 1.20 0.06 0.00 -0.26 0.00 0.00 64.21 65.73 1x60 n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x60 n SER 7 N -2.44 -2.87 -0.86 4.04 2.88 -1.26 -4.90 113.62 108.21 1x60 n SER 7 Ca -0.19 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1x60 n SER 7 Cb 0.84 -3.61 0.00 0.00 -0.75 0.00 0.00 64.21 60.70 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 -1.21 1.75 3.03 0.46 0.00 -1.26 -4.74 105.19 103.22 1x60 n GLY 8 Ca -0.14 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.44 0.99 1.43 -0.05 -4.88 118.68 117.11 1x60 s LEU 9 Ca 0.00 0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1x60 s LEU 9 Cb 0.00 0.52 0.06 0.00 0.03 0.00 0.00 46.19 46.80 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 0.12 3.26 0.13 0.29 2.02 -0.82 -0.74 117.35 121.62 1x60 s TYR 10 Ca -0.00 -1.00 0.08 0.00 -0.37 0.00 0.00 57.07 55.78 1x60 s TYR 10 Cb -0.01 -2.98 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1x60 s TYR 10 CO -0.00 -0.76 -0.20 0.15 -1.57 0.00 0.00 175.55 173.17 1x60 s LYS 11 N 1.60 1.19 -0.10 -0.62 1.02 -1.02 -0.91 119.74 120.90 1x60 s LYS 11 Ca 0.04 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 1x60 s LYS 11 Cb -0.23 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 1x60 s LYS 11 CO 0.06 0.30 0.04 0.08 -0.92 0.00 0.00 175.35 174.91 1x60 s VAL 12 N -1.56 4.61 -0.03 3.17 1.01 -0.23 -1.34 120.40 126.04 1x60 s VAL 12 Ca 0.10 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1x60 s VAL 12 Cb -0.08 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1x60 s VAL 12 CO 0.05 0.61 -0.08 -1.58 0.00 0.00 0.00 175.10 174.10 1x60 s GLN 13 N -0.90 0.95 0.00 2.72 0.74 0.20 0.12 119.66 123.49 1x60 s GLN 13 Ca 0.14 -0.27 0.14 0.00 0.05 0.00 0.00 55.36 55.41 1x60 s GLN 13 Cb -0.12 -0.89 -0.03 0.00 1.10 0.00 0.00 33.01 33.07 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 3.44 0.00 0.00 -2.34 -0.00 -0.82 0.37 119.36 120.02 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 0.54 1.13 0.00 0.00 -0.00 0.00 0.00 39.64 41.31 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 1.10 1.27 3.30 3.28 0.00 -1.23 -4.54 105.19 108.35 1x60 n GLY 15 Ca 0.05 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.98 0.02 4.61 0.00 -1.26 0.36 121.76 122.52 1x60 s ALA 16 Ca 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 1x60 s ALA 16 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1x60 s ALA 16 CO 0.00 -0.26 0.39 -0.06 0.00 0.00 0.00 175.76 175.82 1x60 s PHE 17 N -0.99 -0.25 0.22 0.00 0.40 0.29 -4.90 117.98 112.75 1x60 s PHE 17 Ca -0.10 0.27 0.32 0.00 -0.60 0.00 0.00 56.93 56.82 1x60 s PHE 17 Cb -0.04 0.18 1.77 0.00 0.51 0.00 0.00 43.02 45.44 1x60 s PHE 17 CO 0.04 -0.52 1.99 0.87 0.70 0.00 0.00 175.22 178.31 1x60 h LYS 18 N 3.27 0.00 -5.33 0.44 1.57 -1.84 0.63 116.57 115.31 1x60 h LYS 18 Ca -0.31 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.85 1x60 h LYS 18 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 1x60 h LYS 18 CO 0.43 0.00 -0.61 0.08 -0.57 0.00 0.00 179.45 178.78 1x60 s VAL 19 N -3.83 4.40 0.14 0.50 1.01 -1.26 -4.65 120.40 116.70 1x60 s VAL 19 Ca -0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1x60 s VAL 19 Cb 0.09 -2.96 -0.12 0.00 0.00 0.00 0.00 36.38 33.40 1x60 s VAL 19 CO 0.30 0.48 1.38 0.50 0.00 0.00 0.00 175.10 177.76 1x60 h LYS 20 N 6.58 0.68 -0.54 2.72 3.11 -1.95 -2.35 116.57 124.81 1x60 h LYS 20 Ca -0.35 -0.52 0.09 0.00 -2.81 0.00 0.00 60.65 57.05 1x60 h LYS 20 Cb 1.18 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 32.48 1x60 h LYS 20 CO 0.66 1.14 0.37 0.00 -2.81 0.00 0.00 179.45 178.81 1x60 h ALA 21 N 0.72 2.03 -0.01 5.00 0.00 -1.96 0.42 119.26 125.46 1x60 h ALA 21 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1x60 h ALA 21 Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1x60 h ALA 21 CO 0.14 -0.15 -0.86 -0.91 0.00 0.00 0.00 179.25 177.48 1x60 h ASN 22 N 0.36 0.34 1.18 0.00 4.21 -1.91 -2.53 115.58 117.23 1x60 h ASN 22 Ca 0.25 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1x60 h ASN 22 Cb 0.50 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1x60 h ASN 22 CO -0.06 1.04 -0.05 0.00 -1.29 0.00 0.00 177.43 177.07 1x60 h ALA 23 N 0.94 1.00 0.17 -0.83 0.00 0.18 -2.58 119.26 118.13 1x60 h ALA 23 Ca -0.05 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1x60 h ALA 23 Cb 1.47 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1x60 h ALA 23 CO 0.14 0.06 -1.50 0.22 0.00 0.00 0.00 179.25 178.17 1x60 h ASP 24 N 0.00 0.57 -0.36 0.00 3.58 -0.28 -2.66 116.42 117.27 1x60 h ASP 24 Ca -0.00 -0.70 -0.09 0.00 0.42 0.00 0.00 57.03 56.67 1x60 h ASP 24 Cb 0.65 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1x60 h ASP 24 CO 0.01 1.56 -0.08 -1.28 -2.88 0.00 0.00 179.24 176.56 1x60 h SER 25 N 0.10 0.77 -0.14 2.28 0.87 -1.33 -1.83 113.55 114.27 1x60 h SER 25 Ca -0.24 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.06 1x60 h SER 25 Cb 2.07 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.81 1x60 h SER 25 CO 0.21 0.89 -0.06 0.25 -0.53 0.00 0.00 176.83 177.58 1x60 h LEU 26 N 0.72 0.30 -2.38 2.23 5.85 -1.55 -2.25 115.31 118.23 1x60 h LEU 26 Ca 0.13 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1x60 h LEU 26 Cb 0.56 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1x60 h LEU 26 CO 0.03 0.64 0.01 0.00 -0.34 0.00 0.00 178.44 178.78 1x60 h ALA 27 N 0.67 1.62 -0.07 1.25 0.00 -1.32 -1.59 119.26 119.82 1x60 h ALA 27 Ca 0.03 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 27 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1x60 h ALA 27 CO 0.02 -0.01 -0.87 1.03 0.00 0.00 0.00 179.25 179.42 1x60 h SER 28 N 0.00 0.89 -0.18 0.00 0.87 -1.00 -2.51 113.55 111.62 1x60 h SER 28 Ca 0.00 -0.69 0.01 0.00 -1.23 0.00 0.00 61.79 59.88 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 1.45 0.11 -0.55 -0.53 0.00 0.00 176.83 177.30 1x60 h ASN 29 N 0.41 0.18 -0.68 6.23 -1.07 -0.71 -2.17 115.58 117.76 1x60 h ASN 29 Ca -0.09 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.25 1x60 h ASN 29 Cb 1.52 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 37.70 1x60 h ASN 29 CO 0.17 0.13 0.30 0.00 0.07 0.00 0.00 177.43 178.11 1x60 h ALA 30 N 1.08 1.21 -0.84 4.14 0.00 -1.56 -2.06 119.26 121.22 1x60 h ALA 30 Ca 0.07 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1x60 h ALA 30 Cb -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.44 1x60 h ALA 30 CO -0.03 0.59 0.55 1.49 0.00 0.00 0.00 179.25 181.84 1x60 h GLU 31 N 1.01 0.65 -0.29 0.00 4.81 -0.94 -1.45 114.58 118.37 1x60 h GLU 31 Ca 0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1x60 h GLU 31 Cb 0.16 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 1x60 h GLU 31 CO -0.03 0.43 -0.14 0.00 -0.73 0.00 0.00 179.01 178.54 1x60 h ALA 32 N 1.60 0.08 0.00 2.92 0.00 -0.86 0.34 119.26 123.35 1x60 h ALA 32 Ca 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.65 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x60 h ALA 32 CO -0.17 -0.54 -0.10 0.87 0.00 0.00 0.00 179.25 179.30 1x60 h LYS 33 N -0.11 0.00 0.00 0.00 1.79 -1.35 -3.45 116.57 113.45 1x60 h LYS 33 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1x60 h LYS 33 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1x60 h LYS 33 CO -0.36 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.52 1x60 n GLY 34 N -1.12 1.68 3.94 3.86 0.00 0.12 -5.13 105.19 108.54 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 3.44 -0.83 1.61 0.08 -0.99 -4.99 117.98 114.32 1x60 s PHE 35 Ca 0.00 0.05 -0.23 0.00 0.12 0.00 0.00 56.93 56.88 1x60 s PHE 35 Cb 0.00 -1.62 0.07 0.00 -0.57 0.00 0.00 43.02 40.91 1x60 s PHE 35 CO 0.00 0.49 1.18 0.34 -0.10 0.00 0.00 175.22 177.13 1x60 s ASP 36 N -3.52 6.36 0.52 1.36 -1.08 -1.26 -4.08 116.67 114.97 1x60 s ASP 36 Ca 0.34 -1.25 -0.16 0.00 -0.52 0.00 0.00 52.55 50.96 1x60 s ASP 36 Cb -0.10 -2.48 -0.07 0.00 -1.46 0.00 0.00 42.92 38.81 1x60 s ASP 36 CO 0.28 -1.44 0.99 -0.94 0.52 0.00 0.00 175.17 174.57 1x60 s SER 37 N 3.98 6.58 -0.21 -0.34 1.04 -1.26 -2.29 113.70 121.21 1x60 s SER 37 Ca 0.33 1.54 -0.19 0.00 0.48 0.00 0.00 55.95 58.11 1x60 s SER 37 Cb -0.08 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.59 1x60 s SER 37 CO 0.02 -0.61 0.56 -0.51 0.98 0.00 0.00 173.24 173.67 1x60 s ILE 38 N -2.67 -0.00 -0.23 -1.02 2.07 0.57 -4.96 121.20 114.96 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 0.34 0.00 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.57 1x60 s VAL 39 N 0.38 2.56 -0.13 4.00 1.01 -1.25 -1.15 120.40 125.81 1x60 s VAL 39 Ca -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1x60 s VAL 39 Cb -0.04 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 1x60 s VAL 39 CO -0.00 0.27 -0.18 -0.22 0.00 0.00 0.00 175.10 174.97 1x60 s LEU 40 N 1.29 2.38 -0.32 3.92 2.96 -0.78 -4.89 118.68 123.25 1x60 s LEU 40 Ca 0.00 -0.47 -0.20 0.00 -0.22 0.00 0.00 54.13 53.24 1x60 s LEU 40 Cb -0.16 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1x60 s LEU 40 CO -0.07 0.13 0.62 -0.22 -1.32 0.00 0.00 176.35 175.49 1x60 s LEU 41 N 0.53 4.18 0.03 -0.68 2.96 -1.26 -0.42 118.68 124.01 1x60 s LEU 41 Ca -0.12 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1x60 s LEU 41 Cb -0.16 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1x60 s LEU 41 CO 0.04 -0.49 -0.03 -1.59 -1.32 0.00 0.00 176.35 172.95 1x60 s LYS 42 N 2.60 2.60 0.00 1.98 0.00 0.20 -4.92 119.74 122.20 1x60 s LYS 42 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 55.97 55.48 1x60 s LYS 42 Cb -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 37.83 35.13 1x60 s LYS 42 CO 0.12 0.59 0.00 -0.25 0.00 0.00 0.00 175.35 175.81 1x60 n ASP 43 N 1.24 0.00 0.00 0.03 8.00 -1.26 0.14 116.55 124.70 1x60 n ASP 43 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1x60 n ASP 43 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x60 n GLY 44 N 0.00 -2.54 3.61 0.44 0.00 -1.26 -5.10 105.19 100.34 1x60 n GLY 44 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.09 -0.08 0.99 1.43 0.38 -4.57 118.68 119.93 1x60 s LEU 45 Ca 0.00 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1x60 s LEU 45 Cb 0.00 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1x60 s LEU 45 CO 0.00 0.02 -0.17 -0.31 0.23 0.00 0.00 176.35 176.12 1x60 s TYR 46 N -2.28 2.67 0.07 0.29 1.51 0.22 0.62 117.35 120.45 1x60 s TYR 46 Ca 0.30 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1x60 s TYR 46 Cb -0.06 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1x60 s TYR 46 CO 0.19 -0.03 0.01 0.15 -1.11 0.00 0.00 175.55 174.75 1x60 s LYS 47 N -0.27 2.63 -0.35 -0.62 3.01 0.44 0.10 119.74 124.69 1x60 s LYS 47 Ca 0.01 -0.78 0.03 0.00 -1.01 0.00 0.00 55.97 54.23 1x60 s LYS 47 Cb -0.13 -2.59 0.10 0.00 -1.01 0.00 0.00 37.83 34.21 1x60 s LYS 47 CO 0.03 0.56 0.07 0.08 0.51 0.00 0.00 175.35 176.60 1x60 s VAL 48 N -1.28 2.11 -0.06 3.17 1.01 0.16 -1.86 120.40 123.64 1x60 s VAL 48 Ca 0.25 -2.28 -0.03 0.00 0.00 0.00 0.00 61.98 59.92 1x60 s VAL 48 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1x60 s VAL 48 CO 0.17 -0.62 0.07 -1.58 0.00 0.00 0.00 175.10 173.14 1x60 s GLN 49 N 0.93 3.14 -0.06 2.72 0.74 -0.30 -1.93 119.66 124.89 1x60 s GLN 49 Ca 0.11 -0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.15 1x60 s GLN 49 Cb -0.19 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.02 1x60 s GLN 49 CO -0.10 0.70 -0.01 0.96 -0.55 0.00 0.00 175.29 176.29 1x60 s ILE 50 N -1.05 0.40 -0.01 -2.34 -5.25 0.33 -0.32 121.20 112.96 1x60 s ILE 50 Ca 0.18 0.06 -0.00 0.00 -0.99 0.00 0.00 60.65 59.89 1x60 s ILE 50 Cb -0.12 -0.52 0.00 0.00 2.95 0.00 0.00 42.46 44.77 1x60 s ILE 50 CO 0.08 0.24 0.01 0.61 -1.79 0.00 0.00 174.94 174.09 1x60 n GLY 51 N 4.78 -3.03 2.99 6.27 0.00 -0.97 -3.14 105.19 112.09 1x60 n GLY 51 Ca -0.13 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.03 1.89 0.28 4.61 0.00 -1.26 -1.06 121.76 126.19 1x60 s ALA 52 Ca -0.01 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1x60 s ALA 52 Cb 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1x60 s ALA 52 CO 0.03 -0.67 0.10 -0.06 0.00 0.00 0.00 175.76 175.16 1x60 s PHE 53 N 1.46 1.63 -0.55 0.00 0.40 -0.08 -4.99 117.98 115.84 1x60 s PHE 53 Ca 0.01 -1.18 0.24 0.00 -0.60 0.00 0.00 56.93 55.41 1x60 s PHE 53 Cb -0.15 -0.97 0.51 0.00 0.51 0.00 0.00 43.02 42.92 1x60 s PHE 53 CO -0.09 -0.30 1.65 0.66 0.70 0.00 0.00 175.22 177.84 1x60 h SER 54 N 2.28 0.00 -3.43 1.36 4.64 -1.94 -2.18 113.55 114.28 1x60 h SER 54 Ca -0.38 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.28 1x60 h SER 54 Cb 1.25 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1x60 h SER 54 CO 0.61 0.00 -0.75 -0.44 -0.87 0.00 0.00 176.83 175.38 1x60 s SER 55 N -5.50 4.12 0.28 4.97 0.01 -1.26 -4.65 113.70 111.68 1x60 s SER 55 Ca 0.08 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1x60 s SER 55 Cb 0.08 -1.51 0.45 0.00 0.21 0.00 0.00 66.02 65.25 1x60 s SER 55 CO 0.65 0.20 1.90 0.50 0.41 0.00 0.00 173.24 176.90 1x60 h LYS 56 N 6.46 1.10 -1.33 12.44 3.64 -1.89 -1.73 116.57 135.26 1x60 h LYS 56 Ca -0.30 -0.07 0.39 0.00 -1.27 0.00 0.00 60.65 59.40 1x60 h LYS 56 Cb 1.20 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.70 1x60 h LYS 56 CO 0.56 0.73 0.92 0.38 -2.27 0.00 0.00 179.45 179.76 1x60 h ASP 57 N 1.13 0.12 -0.01 4.20 3.04 -1.98 0.37 116.42 123.28 1x60 h ASP 57 Ca 0.41 0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 54.22 1x60 h ASP 57 Cb 0.15 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1x60 h ASP 57 CO -0.15 -0.01 -0.04 0.78 -2.04 0.00 0.00 179.24 177.78 1x60 h ASN 58 N 0.08 0.06 -0.67 4.15 2.35 -1.70 -2.65 115.58 117.20 1x60 h ASN 58 Ca 0.68 -0.61 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1x60 h ASN 58 Cb 2.45 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 40.76 1x60 h ASN 58 CO -0.12 0.65 0.39 0.00 -1.65 0.00 0.00 177.43 176.70 1x60 h ALA 59 N 0.41 0.89 -0.02 -0.83 0.00 -0.41 -0.87 119.26 118.43 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 0.65 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x60 h ALA 59 CO 0.01 0.10 0.01 -0.44 0.00 0.00 0.00 179.25 178.93 1x60 h ASP 60 N 0.74 0.02 -0.63 0.00 5.19 -1.10 0.31 116.42 120.94 1x60 h ASP 60 Ca 0.29 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.71 1x60 h ASP 60 Cb 0.12 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 1x60 h ASP 60 CO -0.15 0.02 0.42 0.74 -3.12 0.00 0.00 179.24 177.15 1x60 h THR 61 N 0.02 1.13 0.14 0.35 2.02 -1.11 -0.48 112.91 114.98 1x60 h THR 61 Ca 0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1x60 h THR 61 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1x60 h THR 61 CO -0.00 0.15 -0.07 0.25 0.37 0.00 0.00 175.52 176.22 1x60 h LEU 62 N 0.81 -0.16 0.28 2.58 7.12 -0.69 -2.43 115.31 122.82 1x60 h LEU 62 Ca 0.24 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1x60 h LEU 62 Cb -0.02 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.12 1x60 h LEU 62 CO -0.06 0.32 -0.44 0.00 -0.13 0.00 0.00 178.44 178.13 1x60 h ALA 63 N 0.04 -0.89 -0.92 1.25 0.00 -0.09 0.17 119.26 118.83 1x60 h ALA 63 Ca -0.02 -0.12 0.17 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 0.03 -1.05 0.59 0.00 0.00 0.00 0.00 179.25 178.82 1x60 h ALA 64 N -0.43 1.92 -0.69 0.00 0.00 -1.20 0.31 119.26 119.17 1x60 h ALA 64 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 64 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1x60 h ALA 64 CO -0.16 -0.20 0.15 -0.09 0.00 0.00 0.00 179.25 178.95 1x60 h ARG 65 N 0.62 1.12 -0.65 0.00 2.43 -0.74 0.13 114.38 117.30 1x60 h ARG 65 Ca 0.48 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1x60 h ARG 65 Cb 0.89 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1x60 h ARG 65 CO -0.23 1.00 0.15 0.00 -1.51 0.00 0.00 179.97 179.38 1x60 h ALA 66 N 1.10 0.85 -0.26 2.80 0.00 0.24 0.85 119.26 124.84 1x60 h ALA 66 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1x60 h ALA 66 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x60 h ALA 66 CO 0.01 0.58 0.13 0.87 0.00 0.00 0.00 179.25 180.83 1x60 h LYS 67 N 0.96 0.37 0.00 0.00 1.57 0.18 1.30 116.57 120.96 1x60 h LYS 67 Ca 0.20 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1x60 h LYS 67 Cb 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1x60 h LYS 67 CO 0.00 0.36 -0.26 -0.97 -0.57 0.00 0.00 179.45 178.01 1x60 h ASN 68 N 0.30 0.00 1.46 0.86 -1.24 -0.67 -2.42 115.58 113.86 1x60 h ASN 68 Ca 0.09 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 1x60 h ASN 68 Cb 0.10 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1x60 h ASN 68 CO -0.01 0.26 -0.22 0.00 -1.29 0.00 0.00 177.43 176.17 1x60 h ALA 69 N 1.74 0.90 0.00 1.57 0.00 0.17 -3.47 119.26 120.17 1x60 h ALA 69 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 69 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x60 h ALA 69 CO 0.03 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1x60 n GLY 70 N 0.79 1.73 3.16 0.00 0.00 0.36 -5.04 105.19 106.18 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 1.20 -1.21 1.61 0.08 0.42 -4.98 117.98 113.09 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 -0.69 0.20 0.00 -0.57 0.00 0.00 43.02 41.96 1x60 s PHE 71 CO 0.00 0.05 1.59 -3.47 -0.10 0.00 0.00 175.22 173.29 1x60 n ASP 72 N 1.52 5.36 -4.79 1.36 2.03 -1.26 -1.46 116.55 119.30 1x60 n ASP 72 Ca -0.20 -3.10 -0.39 0.00 0.52 0.00 0.00 54.79 51.62 1x60 n ASP 72 Cb 0.54 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 39.41 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 0.21 3.49 0.07 -1.67 0.00 -1.26 -4.07 121.76 118.54 1x60 s ALA 73 Ca 0.39 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1x60 s ALA 73 Cb 0.03 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1x60 s ALA 73 CO 0.01 0.33 -0.11 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.17 0.93 -0.13 0.00 -4.36 0.16 -4.68 121.20 111.95 1x60 s ILE 74 Ca 0.34 -1.38 -0.06 0.00 -0.26 0.00 0.00 60.65 59.29 1x60 s ILE 74 Cb -0.21 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.38 1x60 s ILE 74 CO 0.24 -0.38 0.09 -0.69 0.24 0.00 0.00 174.94 174.43 1x60 s VAL 75 N -1.72 5.03 -0.02 8.37 1.01 -1.26 0.60 120.40 132.41 1x60 s VAL 75 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1x60 s VAL 75 Cb -0.07 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1x60 s VAL 75 CO 0.01 0.57 -0.02 -0.51 0.00 0.00 0.00 175.10 175.15 1x60 s ILE 76 N -0.59 0.27 -0.49 2.22 2.07 -0.45 -4.99 121.20 119.24 1x60 s ILE 76 Ca 0.12 -0.06 -0.18 0.00 -1.41 0.00 0.00 60.65 59.11 1x60 s ILE 76 Cb -0.12 -0.29 0.06 0.00 0.13 0.00 0.00 42.46 42.24 1x60 s ILE 76 CO 0.02 0.12 0.56 -0.22 -1.91 0.00 0.00 174.94 173.51 1x60 s LEU 77 N 0.44 5.07 -0.57 8.50 2.96 -1.25 -2.43 118.68 131.40 1x60 s LEU 77 Ca -0.04 -0.95 -0.21 0.00 -0.22 0.00 0.00 54.13 52.70 1x60 s LEU 77 Cb -0.08 -2.40 0.06 0.00 0.50 0.00 0.00 46.19 44.28 1x60 s LEU 77 CO -0.01 -0.80 0.80 -1.61 -1.32 0.00 0.00 176.35 173.41 1x60 s GLU 78 N 2.38 3.16 0.00 1.98 2.02 0.08 -4.77 118.70 123.56 1x60 s GLU 78 Ca 0.13 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1x60 s GLU 78 Cb -0.20 -4.14 0.04 0.00 0.10 0.00 0.00 34.13 29.92 1x60 s GLU 78 CO 0.11 -1.48 0.64 0.43 0.02 0.00 0.00 175.26 174.98