#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pml n ASP 0 N 0.00 1.96 -3.68 6.43 8.00 -1.26 -4.72 116.55 123.28 1pml n ASP 0 Ca 0.00 -1.48 -0.09 0.00 0.71 0.00 0.00 54.79 53.92 1pml n ASP 0 Cb 0.00 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1pml n ASP 0 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pml s TYR 2 N -3.85 2.44 0.10 0.00 1.13 -0.95 -4.85 117.35 111.35 1pml s TYR 2 Ca 0.07 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.46 1pml s TYR 2 Cb -0.03 -1.15 -0.04 0.00 -1.10 0.00 0.00 41.96 39.65 1pml s TYR 2 CO -0.03 0.57 0.15 -0.06 -2.51 0.00 0.00 175.55 173.68 1pml s PHE 3 N -1.97 3.31 0.00 -3.49 0.08 -1.26 -0.65 117.98 114.01 1pml s PHE 3 Ca 0.25 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.42 1pml s PHE 3 Cb -0.07 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1pml s PHE 3 CO 0.14 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.21 1pml n GLY 4 N 0.16 3.51 1.33 4.36 0.00 -1.26 -0.18 105.19 113.11 1pml n GLY 4 Ca -0.07 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1pml n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pml n ASN 5 N 4.63 3.86 -2.29 1.61 2.04 -1.26 -4.95 115.26 118.91 1pml n ASN 5 Ca 0.00 -2.00 -0.09 0.00 -0.44 0.00 0.00 54.58 52.04 1pml n ASN 5 Cb 0.00 -0.48 0.05 0.00 -2.53 0.00 0.00 39.78 36.81 1pml n ASN 5 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pml n GLY 6 N 1.64 0.02 0.15 4.83 0.00 0.75 -3.49 105.19 109.09 1pml n GLY 6 Ca 0.24 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1pml n GLY 6 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pml h SER 7 N -1.03 0.00 0.34 1.61 4.64 -1.77 -3.30 113.55 114.05 1pml h SER 7 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1pml h SER 7 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1pml h SER 7 CO 0.27 0.25 -0.64 0.00 -0.87 0.00 0.00 176.83 175.84 1pml n ALA 8 N -2.21 3.89 -1.75 5.18 0.00 -1.26 -4.82 120.51 119.54 1pml n ALA 8 Ca -0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 1pml n ALA 8 Cb 0.65 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 1pml n ALA 8 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1pml n TYR 9 N -1.47 2.89 -2.69 0.00 9.36 -1.24 -4.95 117.16 119.05 1pml n TYR 9 Ca 0.05 0.33 -0.01 0.00 3.32 0.00 0.00 57.90 61.59 1pml n TYR 9 Cb 0.34 -2.57 0.08 0.00 -0.63 0.00 0.00 39.34 36.56 1pml n TYR 9 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1pml n ARG 10 N 1.49 1.38 -1.64 2.98 5.12 -1.26 -4.82 116.66 119.91 1pml n ARG 10 Ca 0.06 -2.13 -0.30 0.00 -1.93 0.00 0.00 57.85 53.55 1pml n ARG 10 Cb 0.37 -0.38 0.19 0.00 -1.16 0.00 0.00 32.46 31.49 1pml n ARG 10 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1pml s GLY 11 N -2.20 1.69 0.00 -0.13 0.00 -1.26 -5.00 107.32 100.42 1pml s GLY 11 Ca 0.17 -1.03 0.16 0.00 0.00 0.00 0.00 44.72 44.01 1pml s GLY 11 CO -0.09 -0.26 1.18 -1.30 0.00 0.00 0.00 173.10 172.62 1pml n THR 12 N -4.04 0.44 -1.41 0.90 -2.24 -1.26 -4.60 114.28 102.06 1pml n THR 12 Ca 0.13 -0.72 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 1pml n THR 12 Cb 0.59 0.97 0.08 0.00 -2.10 0.00 0.00 70.33 69.88 1pml n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pml n HIS 13 N 0.96 0.56 -1.82 4.78 8.25 -1.26 -4.76 115.22 121.93 1pml n HIS 13 Ca 0.13 0.40 -0.04 0.00 -0.26 0.00 0.00 57.72 57.95 1pml n HIS 13 Cb 0.45 -2.08 -0.04 0.00 1.12 0.00 0.00 29.99 29.45 1pml n HIS 13 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pml n SER 14 N -1.33 -0.56 -4.37 0.41 3.41 -1.26 -1.38 113.62 108.53 1pml n SER 14 Ca 0.13 -1.26 -0.32 0.00 -0.26 0.00 0.00 58.87 57.16 1pml n SER 14 Cb 0.49 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 1pml n SER 14 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pml s LEU 15 N 0.00 2.32 0.80 1.04 1.43 -1.26 -1.07 118.68 121.94 1pml s LEU 15 Ca 0.00 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1pml s LEU 15 Cb 0.00 -1.42 0.14 0.00 0.03 0.00 0.00 46.19 44.93 1pml s LEU 15 CO 0.00 0.32 1.11 0.42 0.23 0.00 0.00 176.35 178.44 1pml s THR 16 N -0.62 2.12 0.40 5.49 -4.23 0.36 -1.79 115.64 117.38 1pml s THR 16 Ca 0.10 -0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.35 1pml s THR 16 Cb -0.10 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.19 1pml s THR 16 CO -0.00 0.00 2.05 -0.33 -0.54 0.00 0.00 174.62 175.80 1pml h GLU 17 N -0.93 0.59 -0.12 3.99 5.08 -1.42 -2.75 114.58 119.03 1pml h GLU 17 Ca -0.41 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1pml h GLU 17 Cb 1.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pml h GLU 17 CO 0.44 0.39 0.00 -1.13 -1.00 0.00 0.00 179.01 177.71 1pml n SER 18 N -4.47 0.12 0.00 1.42 3.41 -1.26 -4.87 113.62 107.97 1pml n SER 18 Ca 0.04 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1pml n SER 18 Cb 0.06 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pml n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pml n GLY 19 N 0.43 2.70 3.77 5.00 0.00 -1.04 -5.02 105.19 111.04 1pml n GLY 19 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pml n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pml s ALA 20 N -2.87 2.08 -0.12 4.61 0.00 -1.26 -4.68 121.76 119.52 1pml s ALA 20 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1pml s ALA 20 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1pml s ALA 20 CO 0.00 -1.86 0.10 0.45 0.00 0.00 0.00 175.76 174.45 1pml s SER 21 N -3.65 6.05 0.46 0.00 0.15 -1.26 0.14 113.70 115.59 1pml s SER 21 Ca 0.61 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 57.37 1pml s SER 21 Cb -0.16 -1.93 -0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1pml s SER 21 CO 0.55 0.37 1.29 0.00 1.20 0.00 0.00 173.24 176.65 1pml s LEU 23 N -2.88 4.07 0.40 0.00 1.43 -0.21 -4.90 118.68 116.58 1pml s LEU 23 Ca 0.63 1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 54.88 1pml s LEU 23 Cb -0.37 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 41.62 1pml s LEU 23 CO 0.46 -0.22 1.21 -2.16 0.23 0.00 0.00 176.35 175.87 1pml s PRO 24 N -2.91 4.03 0.44 1.29 0.04 -1.26 -4.63 135.00 132.00 1pml s PRO 24 Ca 0.55 1.94 0.15 0.00 0.04 0.00 0.00 61.00 63.68 1pml s PRO 24 Cb -0.11 -2.71 0.98 0.00 0.04 0.00 0.00 34.50 32.70 1pml s PRO 24 CO 0.17 -0.37 1.97 -1.49 0.04 0.00 0.00 177.00 177.32 1pml h TRP 25 N 2.67 0.00 -0.37 0.56 4.06 -1.33 -2.05 115.95 119.50 1pml h TRP 25 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1pml h TRP 25 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1pml h TRP 25 CO 0.54 0.20 0.00 0.27 -3.56 0.00 0.00 178.44 175.90 1pml n ASN 26 N -4.27 2.03 -4.73 -3.49 6.94 -1.23 -2.26 115.26 108.25 1pml n ASN 26 Ca -0.02 -2.02 -0.42 0.00 -0.02 0.00 0.00 54.58 52.10 1pml n ASN 26 Cb 0.26 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 1pml n ASN 26 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1pml s SER 27 N -0.98 6.63 0.00 0.53 0.15 -0.77 -4.87 113.70 114.39 1pml s SER 27 Ca 0.25 2.60 0.07 0.00 0.70 0.00 0.00 55.95 59.57 1pml s SER 27 Cb 0.13 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.16 1pml s SER 27 CO 0.16 -0.76 1.15 0.80 1.20 0.00 0.00 173.24 175.79 1pml n MET 28 N 3.40 0.05 0.06 5.44 1.56 -1.26 -1.51 117.12 124.86 1pml n MET 28 Ca 0.11 0.30 0.12 0.00 -0.27 0.00 0.00 57.70 57.96 1pml n MET 28 Cb 0.39 -1.50 0.06 0.00 2.15 0.00 0.00 33.22 34.33 1pml n MET 28 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 1pml n ILE 29 N -1.39 0.36 1.51 1.12 3.06 -1.26 -3.62 119.36 119.13 1pml n ILE 29 Ca 0.02 -0.35 0.14 0.00 -2.50 0.00 0.00 62.75 60.07 1pml n ILE 29 Cb 0.07 -0.08 0.53 0.00 0.54 0.00 0.00 39.64 40.71 1pml n ILE 29 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1pml n LEU 30 N -2.23 1.43 -4.67 9.51 4.77 -0.57 -4.88 117.00 120.37 1pml n LEU 30 Ca 0.02 -0.48 -0.51 0.00 -0.03 0.00 0.00 56.01 55.01 1pml n LEU 30 Cb 0.47 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1pml n LEU 30 CO 0.39 0.24 1.27 0.00 -1.33 0.00 0.00 177.39 177.96 1pml n ILE 31 N 0.11 0.28 0.00 -0.08 0.00 -1.24 -0.77 119.36 117.66 1pml n ILE 31 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 62.75 62.89 1pml n ILE 31 Cb 0.35 -1.43 0.00 0.00 0.00 0.00 0.00 39.64 38.56 1pml n ILE 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pml n GLY 32 N 3.78 1.51 3.91 4.50 0.00 -1.26 -5.08 105.19 112.55 1pml n GLY 32 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1pml n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pml s LYS 33 N -0.93 3.27 -0.18 1.61 -0.14 0.05 -5.05 119.74 118.36 1pml s LYS 33 Ca 0.00 0.17 -0.09 0.00 -1.36 0.00 0.00 55.97 54.68 1pml s LYS 33 Cb 0.00 -2.30 -0.21 0.00 -1.68 0.00 0.00 37.83 33.64 1pml s LYS 33 CO 0.00 -0.46 0.14 0.28 -0.76 0.00 0.00 175.35 174.54 1pml n VAL 34 N -2.46 1.64 -3.17 3.17 0.31 -1.26 -4.67 118.33 111.89 1pml n VAL 34 Ca 0.03 -0.46 -0.46 0.00 -0.01 0.00 0.00 64.34 63.44 1pml n VAL 34 Cb 0.56 -1.76 -0.02 0.00 -0.91 0.00 0.00 33.84 31.70 1pml n VAL 34 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pml s TYR 35 N -2.50 3.49 0.20 3.52 2.02 -1.26 -4.52 117.35 118.30 1pml s TYR 35 Ca -0.28 -1.73 -0.07 0.00 -0.37 0.00 0.00 57.07 54.62 1pml s TYR 35 Cb 0.08 -4.00 -0.02 0.00 -0.40 0.00 0.00 41.96 37.61 1pml s TYR 35 CO 0.66 -1.19 0.27 0.95 -1.57 0.00 0.00 175.55 174.67 1pml s THR 37 N 1.21 0.03 -0.68 -0.71 -4.23 -1.26 -4.97 115.64 105.03 1pml s THR 37 Ca 0.23 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1pml s THR 37 Cb -0.09 -2.18 0.11 0.00 1.34 0.00 0.00 72.50 71.69 1pml s THR 37 CO -0.09 -0.13 1.35 0.00 -0.54 0.00 0.00 174.62 175.21 1pml n ALA 38 N -0.27 1.16 0.93 3.99 0.00 -0.96 -1.47 120.51 123.89 1pml n ALA 38 Ca -0.02 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1pml n ALA 38 Cb 0.64 -1.17 0.17 0.00 0.00 0.00 0.00 19.45 19.08 1pml n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pml n GLN 40 N -1.83 0.05 -1.56 0.00 -0.00 -1.26 -4.80 117.38 107.97 1pml n GLN 40 Ca 0.00 0.01 -0.44 0.00 -0.00 0.00 0.00 57.00 56.57 1pml n GLN 40 Cb 0.05 -1.52 -0.01 0.00 -0.00 0.00 0.00 30.24 28.76 1pml n GLN 40 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1pml n ASN 41 N -1.59 0.89 0.29 2.61 2.85 -0.54 -4.87 115.26 114.91 1pml n ASN 41 Ca 0.05 1.13 0.17 0.00 -0.11 0.00 0.00 54.58 55.82 1pml n ASN 41 Cb 0.35 -1.25 0.85 0.00 1.24 0.00 0.00 39.78 40.97 1pml n ASN 41 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pml h PRO 42 N 1.74 0.00 -0.38 1.20 0.13 -1.90 -1.74 132.00 131.05 1pml h PRO 42 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1pml h PRO 42 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pml h PRO 42 CO 0.59 0.05 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 1pml n SER 43 N -3.34 3.03 -0.29 1.44 7.64 -1.26 -4.79 113.62 116.05 1pml n SER 43 Ca -0.01 -1.93 0.05 0.00 1.01 0.00 0.00 58.87 57.98 1pml n SER 43 Cb 0.21 -0.25 0.11 0.00 -1.01 0.00 0.00 64.21 63.27 1pml n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pml n ALA 44 N 0.81 0.19 0.40 -0.43 0.00 -0.66 -0.46 120.51 120.37 1pml n ALA 44 Ca 0.14 0.87 -0.19 0.00 0.00 0.00 0.00 53.44 54.26 1pml n ALA 44 Cb 0.46 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 1pml n ALA 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1pml h GLN 44 N 0.00 -1.08 -0.98 0.00 -0.00 -1.83 0.45 115.11 111.66 1pml h GLN 44 Ca 0.38 0.07 0.31 0.00 -0.00 0.00 0.00 58.65 59.41 1pml h GLN 44 Cb 0.59 0.25 -0.15 0.00 -0.00 0.00 0.00 27.48 28.16 1pml h GLN 44 CO -0.81 -0.72 0.51 0.00 -0.00 0.00 0.00 178.83 177.81 1pml h ALA 44 N -0.98 1.84 -0.00 0.06 0.00 -1.16 0.43 119.26 119.46 1pml h ALA 44 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pml h ALA 44 Cb 0.91 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pml h ALA 44 CO 0.09 -0.55 -0.38 1.28 0.00 0.00 0.00 179.25 179.69 1pml n LEU 44 N -5.08 0.53 -2.19 0.00 4.77 -0.43 -4.97 117.00 109.63 1pml n LEU 44 Ca 0.30 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1pml n LEU 44 Cb 0.93 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.81 1pml n LEU 44 CO 0.09 0.12 0.12 0.61 -1.33 0.00 0.00 177.39 177.00 1pml n GLY 45 N 1.46 0.10 3.26 -0.72 0.00 0.15 -4.84 105.19 104.60 1pml n GLY 45 Ca 0.07 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1pml n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pml s LEU 46 N -4.47 6.24 0.00 0.99 1.43 -0.50 -4.99 118.68 117.36 1pml s LEU 46 Ca 0.31 -2.61 0.00 0.00 -1.03 0.00 0.00 54.13 50.80 1pml s LEU 46 Cb -0.14 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1pml s LEU 46 CO 0.39 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1pml n GLY 47 N 4.00 5.22 2.43 -3.19 0.00 -1.26 -4.07 105.19 108.32 1pml n GLY 47 Ca 0.09 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1pml n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pml n LYS 48 N 0.00 3.10 -3.20 1.61 5.02 -1.26 -3.56 118.16 119.87 1pml n LYS 48 Ca 0.00 -1.94 -0.07 0.00 -2.02 0.00 0.00 58.31 54.29 1pml n LYS 48 Cb 0.00 -2.68 0.02 0.00 -0.02 0.00 0.00 35.03 32.35 1pml n LYS 48 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1pml n HIS 48 N 3.86 -2.01 -2.35 2.13 1.44 -1.26 -5.04 115.22 111.99 1pml n HIS 48 Ca 0.66 -1.43 0.01 0.00 -2.01 0.00 0.00 57.72 54.95 1pml n HIS 48 Cb 0.20 0.71 0.06 0.00 0.12 0.00 0.00 29.99 31.08 1pml n HIS 48 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1pml n ASN 49 N -1.40 1.63 -4.76 4.39 6.94 -1.26 -1.33 115.26 119.48 1pml n ASN 49 Ca -0.07 -2.55 -0.40 0.00 -0.02 0.00 0.00 54.58 51.55 1pml n ASN 49 Cb 0.47 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1pml n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1pml s TYR 50 N -1.83 3.96 0.06 -2.53 2.02 -1.26 -4.58 117.35 113.19 1pml s TYR 50 Ca 0.35 1.81 -0.35 0.00 -0.37 0.00 0.00 57.07 58.50 1pml s TYR 50 Cb 0.37 -2.90 -0.15 0.00 -0.40 0.00 0.00 41.96 38.89 1pml s TYR 50 CO -0.10 0.48 1.55 0.00 -1.57 0.00 0.00 175.55 175.90 1pml s ARG 52 N 1.38 0.83 -0.63 0.00 1.81 -0.50 -4.71 118.95 117.12 1pml s ARG 52 Ca 0.84 -1.23 0.06 0.00 -1.72 0.00 0.00 55.73 53.68 1pml s ARG 52 Cb -0.81 -0.36 0.23 0.00 -0.45 0.00 0.00 34.95 33.55 1pml s ARG 52 CO 0.45 0.03 0.65 -1.71 -0.68 0.00 0.00 175.30 174.04 1pml n ASN 53 N 0.29 3.14 0.17 0.23 5.15 -1.25 -0.07 115.26 122.91 1pml n ASN 53 Ca -0.14 -3.29 0.13 0.00 -0.60 0.00 0.00 54.58 50.67 1pml n ASN 53 Cb 0.59 -0.69 0.28 0.00 -0.53 0.00 0.00 39.78 39.44 1pml n ASN 53 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1pml h PRO 54 N 4.54 0.00 0.00 1.20 0.13 -1.89 -3.39 132.00 132.59 1pml h PRO 54 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1pml h PRO 54 Cb 0.71 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.75 1pml h PRO 54 CO 0.76 0.00 -0.50 -0.40 -0.23 0.00 0.00 178.00 177.63 1pml n ASP 55 N -2.70 1.39 -2.18 1.44 5.75 -1.26 -5.00 116.55 113.98 1pml n ASP 55 Ca 0.05 -2.89 -0.15 0.00 -0.01 0.00 0.00 54.79 51.78 1pml n ASP 55 Cb 0.48 -0.39 0.03 0.00 -1.03 0.00 0.00 41.12 40.21 1pml n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pml n GLY 56 N -0.62 -0.08 0.80 6.12 0.00 -1.26 -5.03 105.19 105.13 1pml n GLY 56 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1pml n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pml n ASP 57 N -1.15 -0.47 0.13 1.61 -0.08 -1.26 -4.93 116.55 110.41 1pml n ASP 57 Ca -0.05 -0.92 -0.01 0.00 -1.51 0.00 0.00 54.79 52.29 1pml n ASP 57 Cb 0.57 -0.22 0.22 0.00 2.34 0.00 0.00 41.12 44.03 1pml n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pml h ALA 58 N -2.03 1.08 -2.11 -1.67 0.00 -1.96 -3.46 119.26 109.10 1pml h ALA 58 Ca -0.09 -0.47 0.20 0.00 0.00 0.00 0.00 54.91 54.54 1pml h ALA 58 Cb 0.26 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1pml h ALA 58 CO 0.06 0.65 0.57 -1.59 0.00 0.00 0.00 179.25 178.94 1pml s LYS 59 N -3.89 0.93 0.36 0.00 -2.85 -1.23 -4.57 119.74 108.50 1pml s LYS 59 Ca -0.03 -0.48 -0.27 0.00 -1.00 0.00 0.00 55.97 54.20 1pml s LYS 59 Cb 0.13 0.34 -0.12 0.00 -2.06 0.00 0.00 37.83 36.12 1pml s LYS 59 CO 0.76 -0.42 1.14 -2.30 0.10 0.00 0.00 175.35 174.63 1pml n PRO 61 N -0.41 1.70 -2.32 1.78 -0.02 -1.23 -4.77 135.00 129.72 1pml n PRO 61 Ca -0.07 0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1pml n PRO 61 Cb 0.61 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 1pml n PRO 61 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1pml n TRP 62 N -0.01 -0.25 -3.51 6.00 4.27 0.89 -0.18 117.44 124.65 1pml n TRP 62 Ca 0.07 -0.49 -0.09 0.00 -3.89 0.00 0.00 57.50 53.10 1pml n TRP 62 Cb 0.37 0.06 -0.03 0.00 -1.36 0.00 0.00 31.31 30.35 1pml n TRP 62 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pml s HIS 64 N -2.82 3.40 -0.04 0.00 3.76 -1.26 -1.58 115.29 116.75 1pml s HIS 64 Ca 0.03 1.65 -0.06 0.00 -0.15 0.00 0.00 55.06 56.53 1pml s HIS 64 Cb -0.01 -3.28 0.01 0.00 1.11 0.00 0.00 32.58 30.41 1pml s HIS 64 CO -0.07 -0.75 0.14 0.14 -0.85 0.00 0.00 174.74 173.35 1pml s VAL 65 N -1.32 0.02 -0.46 -0.90 -7.23 -0.67 -1.05 120.40 108.81 1pml s VAL 65 Ca 0.50 -0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 60.27 1pml s VAL 65 Cb -0.30 -0.27 0.03 0.00 0.56 0.00 0.00 36.38 36.40 1pml s VAL 65 CO 0.38 -0.11 0.61 -0.22 -0.31 0.00 0.00 175.10 175.45 1pml s LEU 66 N -0.33 4.69 -0.44 1.32 2.96 -1.26 0.20 118.68 125.81 1pml s LEU 66 Ca -0.04 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1pml s LEU 66 Cb -0.03 -2.59 0.11 0.00 0.50 0.00 0.00 46.19 44.18 1pml s LEU 66 CO 0.01 -0.79 0.29 -0.54 -1.32 0.00 0.00 176.35 174.00 1pml s LYS 66 N 2.67 2.41 -0.58 1.98 -0.14 0.78 -4.71 119.74 122.14 1pml s LYS 66 Ca 0.19 -1.70 -0.11 0.00 -1.36 0.00 0.00 55.97 52.99 1pml s LYS 66 Cb -0.16 -3.81 0.02 0.00 -1.68 0.00 0.00 37.83 32.20 1pml s LYS 66 CO 0.16 -1.10 0.64 0.09 -0.76 0.00 0.00 175.35 174.38 1pml n ASN 67 N 4.84 -7.37 -0.03 2.83 3.02 -1.26 -1.81 115.26 115.47 1pml n ASN 67 Ca -0.07 0.12 -0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1pml n ASN 67 Cb 0.41 -4.64 -0.00 0.00 -0.61 0.00 0.00 39.78 34.94 1pml n ASN 67 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1pml n ARG 68 N -1.01 -1.97 -4.05 3.52 0.00 -1.26 -4.79 116.66 107.09 1pml n ARG 68 Ca 0.02 0.10 -0.34 0.00 -0.00 0.00 0.00 57.85 57.63 1pml n ARG 68 Cb 0.52 -3.01 -0.15 0.00 -0.00 0.00 0.00 32.46 29.81 1pml n ARG 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1pml s ARG 69 N -0.44 3.04 -0.42 2.89 3.03 -0.75 -5.08 118.95 121.23 1pml s ARG 69 Ca 0.00 -0.81 -0.29 0.00 2.03 0.00 0.00 55.73 56.66 1pml s ARG 69 Cb 0.00 -2.72 0.02 0.00 -1.03 0.00 0.00 34.95 31.22 1pml s ARG 69 CO 0.00 -0.24 1.19 -1.17 -1.13 0.00 0.00 175.30 173.95 1pml s LEU 70 N 1.33 3.71 0.00 -1.89 2.96 -1.26 0.27 118.68 123.81 1pml s LEU 70 Ca 0.04 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1pml s LEU 70 Cb -0.14 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1pml s LEU 70 CO -0.10 -1.19 0.00 1.07 -1.32 0.00 0.00 176.35 174.81 1pml n THR 71 N 6.62 0.00 -3.75 3.68 5.66 0.13 -4.95 114.28 121.66 1pml n THR 71 Ca 0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.03 1pml n THR 71 Cb 0.48 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.20 1pml n THR 71 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1pml s TRP 72 N -0.08 -0.03 0.09 1.09 1.48 -1.26 -1.66 118.94 118.57 1pml s TRP 72 Ca 0.00 -0.30 -0.20 0.00 -1.06 0.00 0.00 56.10 54.55 1pml s TRP 72 Cb 0.00 0.09 0.05 0.00 -1.16 0.00 0.00 33.47 32.44 1pml s TRP 72 CO 0.00 -0.59 0.48 -1.21 -4.06 0.00 0.00 176.95 171.57 1pml s GLU 73 N -3.56 1.07 0.43 3.25 2.02 -0.62 -4.87 118.70 116.42 1pml s GLU 73 Ca 0.02 -0.46 -0.24 0.00 0.02 0.00 0.00 54.97 54.31 1pml s GLU 73 Cb 0.03 0.48 -0.08 0.00 0.10 0.00 0.00 34.13 34.66 1pml s GLU 73 CO -0.10 -0.41 1.17 0.71 0.02 0.00 0.00 175.26 176.65 1pml s TYR 74 N -3.16 2.98 0.58 1.61 2.02 -1.26 -1.03 117.35 119.08 1pml s TYR 74 Ca -0.01 1.54 -0.07 0.00 -0.37 0.00 0.00 57.07 58.16 1pml s TYR 74 Cb 0.00 -3.38 -0.01 0.00 -0.40 0.00 0.00 41.96 38.17 1pml s TYR 74 CO -0.07 -1.40 0.91 0.00 -1.57 0.00 0.00 175.55 173.41 1pml n ASP 76 N -2.58 6.42 -4.83 0.00 2.03 -0.74 -4.51 116.55 112.35 1pml n ASP 76 Ca 0.04 -3.07 -0.37 0.00 0.52 0.00 0.00 54.79 51.90 1pml n ASP 76 Cb 0.56 -1.11 -0.06 0.00 -0.72 0.00 0.00 41.12 39.79 1pml n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1pml s VAL 77 N -2.16 5.23 0.44 5.18 1.01 -1.26 -4.99 120.40 123.85 1pml s VAL 77 Ca 0.38 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 1pml s VAL 77 Cb 0.27 -3.60 -0.11 0.00 0.00 0.00 0.00 36.38 32.95 1pml s VAL 77 CO -0.05 0.55 0.97 -2.16 0.00 0.00 0.00 175.10 174.41 1pml s PRO 78 N -0.76 4.15 0.34 2.72 0.05 -1.26 -4.91 135.00 135.33 1pml s PRO 78 Ca 0.20 1.16 -0.26 0.00 0.05 0.00 0.00 61.00 62.14 1pml s PRO 78 Cb -0.14 -2.16 -0.09 0.00 0.05 0.00 0.00 34.50 32.15 1pml s PRO 78 CO 0.09 -0.10 1.04 0.45 0.05 0.00 0.00 177.00 178.52 1pml s SER 79 N -2.16 7.06 0.00 6.66 0.15 -1.26 -2.25 113.70 121.90 1pml s SER 79 Ca 0.63 2.07 0.20 0.00 0.70 0.00 0.00 55.95 59.55 1pml s SER 79 Cb -0.10 -2.60 0.93 0.00 -1.71 0.00 0.00 66.02 62.54 1pml s SER 79 CO 0.14 -0.28 1.65 0.00 1.20 0.00 0.00 173.24 175.96