#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 n GLU 2 N 0.00 0.36 0.00 0.00 -0.58 -1.26 -4.98 120.64 114.19 1s62 n GLU 2 Ca 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1s62 n GLU 2 Cb 0.00 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1s62 n GLU 2 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1s62 n PHE 3 N -4.06 0.00 0.00 -0.32 3.72 -1.26 -1.70 117.46 113.84 1s62 n PHE 3 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1s62 n PHE 3 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1s62 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s62 n GLY 4 N 0.00 0.00 2.50 1.37 0.00 -1.26 -4.93 105.19 102.88 1s62 n GLY 4 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1s62 n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s62 n ASN 5 N 0.00 -5.00 -3.92 1.61 5.03 -0.69 -4.90 115.26 107.39 1s62 n ASN 5 Ca 0.00 0.37 -0.42 0.00 0.87 0.00 0.00 54.58 55.39 1s62 n ASN 5 Cb 0.00 -3.80 0.00 0.00 -1.02 0.00 0.00 39.78 34.96 1s62 n ASN 5 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1s62 n THR 6 N -2.50 3.71 -3.90 3.41 -2.24 -1.26 -4.89 114.28 106.61 1s62 n THR 6 Ca -0.15 -3.48 -0.13 0.00 -2.27 0.00 0.00 64.05 58.02 1s62 n THR 6 Cb 0.52 -2.52 -0.14 0.00 -2.10 0.00 0.00 70.33 66.09 1s62 n THR 6 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s62 s LYS 7 N 2.86 0.06 -1.37 -0.78 2.20 -1.26 -5.06 119.74 116.40 1s62 s LYS 7 Ca 0.47 0.00 -0.15 0.00 -0.36 0.00 0.00 55.97 55.93 1s62 s LYS 7 Cb 0.11 -0.11 0.07 0.00 -1.51 0.00 0.00 37.83 36.39 1s62 s LYS 7 CO -0.04 -0.01 1.96 -1.71 -0.36 0.00 0.00 175.35 175.18 1s62 n ASN 8 N 3.26 4.47 -4.92 1.43 5.15 -1.26 -4.93 115.26 118.46 1s62 n ASN 8 Ca -0.15 -2.90 -0.20 0.00 -0.60 0.00 0.00 54.58 50.73 1s62 n ASN 8 Cb 0.58 -1.68 -0.02 0.00 -0.53 0.00 0.00 39.78 38.13 1s62 n ASN 8 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1s62 s ASN 9 N 3.42 5.54 0.00 1.20 2.20 -1.26 -4.98 114.94 121.07 1s62 s ASN 9 Ca 0.49 -0.41 0.00 0.00 -0.94 0.00 0.00 52.86 52.00 1s62 s ASN 9 Cb 0.09 -0.99 0.00 0.00 -2.00 0.00 0.00 41.25 38.35 1s62 s ASN 9 CO -0.01 -0.45 0.00 0.61 -2.94 0.00 0.00 177.10 174.31 1s62 n GLY 10 N -1.53 0.63 2.52 0.45 0.00 -1.26 -4.84 105.19 101.15 1s62 n GLY 10 Ca 0.00 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 s ALA 11 N -2.00 0.70 0.01 4.61 0.00 -1.26 -4.97 121.76 118.84 1s62 s ALA 11 Ca 0.00 -1.34 0.27 0.00 0.00 0.00 0.00 51.96 50.89 1s62 s ALA 11 Cb 0.00 -1.47 0.92 0.00 0.00 0.00 0.00 23.12 22.57 1s62 s ALA 11 CO 0.00 -1.81 1.82 0.77 0.00 0.00 0.00 175.76 176.54 1s62 h SER 12 N 7.92 0.00 -3.53 0.00 0.02 -1.95 -3.35 113.55 112.66 1s62 h SER 12 Ca -0.11 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.32 1s62 h SER 12 Cb 1.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.56 1s62 h SER 12 CO 0.37 0.13 0.57 -0.83 -1.14 0.00 0.00 176.83 175.93 1s62 s GLY 13 N -4.25 2.70 0.00 -3.77 0.00 -1.26 -1.99 107.32 98.76 1s62 s GLY 13 Ca 0.02 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1s62 s GLY 13 CO 0.62 1.85 0.00 0.00 0.00 0.00 0.00 173.10 175.57 1s62 n ALA 14 N 2.26 0.00 0.07 3.20 0.00 -1.26 -4.69 120.51 120.09 1s62 n ALA 14 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1s62 n ALA 14 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1s62 n ALA 14 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1s62 h ASP 15 N 0.00 -0.09 -0.60 0.00 1.82 -1.60 0.27 116.42 116.21 1s62 h ASP 15 Ca 0.00 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.51 1s62 h ASP 15 Cb 0.00 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1s62 h ASP 15 CO 0.00 0.00 0.09 0.40 -1.61 0.00 0.00 179.24 178.12 1s62 h ILE 16 N -0.18 1.26 -0.51 2.25 2.04 -1.68 -0.16 117.51 120.53 1s62 h ILE 16 Ca -0.01 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1s62 h ILE 16 Cb 0.15 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1s62 h ILE 16 CO 0.02 0.37 0.32 -1.13 0.00 0.00 0.00 178.15 177.73 1s62 h ASN 17 N 0.91 0.54 -0.08 1.72 -1.24 -1.76 -0.96 115.58 114.72 1s62 h ASN 17 Ca 0.18 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 1s62 h ASN 17 Cb 0.44 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1s62 h ASN 17 CO 0.01 0.39 -0.02 -1.13 -1.29 0.00 0.00 177.43 175.40 1s62 h ASN 18 N 0.65 0.15 -0.45 1.15 -0.73 -0.28 -3.06 115.58 113.01 1s62 h ASN 18 Ca 0.20 -0.37 -0.00 0.00 1.87 0.00 0.00 56.30 58.00 1s62 h ASN 18 Cb -0.03 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1s62 h ASN 18 CO -0.06 0.48 0.28 0.22 -0.37 0.00 0.00 177.43 177.98 1s62 h TYR 19 N -0.18 0.60 -0.72 0.67 5.03 -0.84 0.48 116.97 122.02 1s62 h TYR 19 Ca 0.02 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 1s62 h TYR 19 Cb 0.42 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 1s62 h TYR 19 CO 0.05 0.41 0.23 0.00 -1.32 0.00 0.00 178.16 177.52 1s62 h ALA 20 N 1.67 0.94 0.00 1.82 0.00 -1.16 -2.27 119.26 120.26 1s62 h ALA 20 Ca 0.17 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1s62 h ALA 20 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1s62 h ALA 20 CO -0.03 0.62 -0.66 0.78 0.00 0.00 0.00 179.25 179.95 1s62 h GLY 21 N 1.05 0.00 1.31 0.00 0.00 -1.27 -3.17 103.07 100.99 1s62 h GLY 21 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1s62 h GLY 21 CO -0.01 0.00 0.24 1.46 0.00 0.00 0.00 176.54 178.23 1s62 h GLN 22 N 0.00 0.88 -0.56 4.80 1.08 -0.38 -2.17 115.11 118.76 1s62 h GLN 22 Ca -0.01 -0.14 0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1s62 h GLN 22 Cb 1.23 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.46 1s62 h GLN 22 CO 0.09 0.73 0.33 0.82 -0.95 0.00 0.00 178.83 179.85 1s62 h ILE 23 N 0.87 1.04 -0.34 2.54 2.04 -1.40 0.44 117.51 122.71 1s62 h ILE 23 Ca 0.21 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1s62 h ILE 23 Cb 0.18 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1s62 h ILE 23 CO -0.02 0.12 0.09 0.11 0.00 0.00 0.00 178.15 178.46 1s62 h LYS 24 N 0.65 0.53 -0.02 2.37 1.57 -1.57 -3.03 116.57 117.08 1s62 h LYS 24 Ca 0.23 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1s62 h LYS 24 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1s62 h LYS 24 CO -0.11 0.58 -0.63 0.77 -0.57 0.00 0.00 179.45 179.49 1s62 h SER 25 N 0.39 0.11 -0.49 0.86 0.02 -1.00 -3.19 113.55 110.25 1s62 h SER 25 Ca 0.11 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1s62 h SER 25 Cb 0.27 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1s62 h SER 25 CO -0.00 0.71 0.24 0.00 -1.14 0.00 0.00 176.83 176.64 1s62 h ALA 26 N 1.29 0.62 -0.51 3.77 0.00 -0.01 0.28 119.26 124.69 1s62 h ALA 26 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s62 h ALA 26 Cb 1.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1s62 h ALA 26 CO 0.09 -0.10 0.31 0.82 0.00 0.00 0.00 179.25 180.37 1s62 h ILE 27 N 0.48 1.16 0.00 0.00 2.04 -1.53 -2.16 117.51 117.50 1s62 h ILE 27 Ca 0.21 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1s62 h ILE 27 Cb 0.12 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1s62 h ILE 27 CO -0.15 0.16 -0.09 -0.08 0.00 0.00 0.00 178.15 177.99 1s62 h GLU 28 N 0.69 0.00 0.00 2.37 4.81 -1.45 0.23 114.58 121.23 1s62 h GLU 28 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1s62 h GLU 28 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1s62 h GLU 28 CO -0.03 0.09 0.00 0.77 -0.73 0.00 0.00 179.01 179.11 1s62 h SER 29 N 0.00 0.00 0.00 1.04 0.02 0.22 -2.10 113.55 112.73 1s62 h SER 29 Ca -0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 1s62 h SER 29 Cb 0.78 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 1s62 h SER 29 CO 0.01 0.00 -2.41 0.29 -1.14 0.00 0.00 176.83 173.58 1s62 n LYS 30 N -2.65 0.55 -3.56 3.45 4.76 -0.86 -4.78 118.16 115.07 1s62 n LYS 30 Ca 0.00 0.22 -0.40 0.00 -2.87 0.00 0.00 58.31 55.27 1s62 n LYS 30 Cb 0.21 -1.42 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1s62 n LYS 30 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1s62 s PHE 31 N -2.47 3.81 0.00 2.13 0.40 0.77 -4.96 117.98 117.66 1s62 s PHE 31 Ca -0.35 -2.72 0.00 0.00 -0.60 0.00 0.00 56.93 53.26 1s62 s PHE 31 Cb 0.13 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 40.23 1s62 s PHE 31 CO 0.47 -0.84 0.00 0.98 0.70 0.00 0.00 175.22 176.53 1s62 n TYR 32 N 2.96 0.00 1.96 0.36 4.19 -0.81 -2.65 117.16 123.17 1s62 n TYR 32 Ca 0.17 0.00 0.06 0.00 3.31 0.00 0.00 57.90 61.45 1s62 n TYR 32 Cb 0.39 0.00 0.37 0.00 0.49 0.00 0.00 39.34 40.59 1s62 n TYR 32 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1s62 n ASP 33 N 0.00 0.07 0.09 2.98 5.75 -1.26 -1.71 116.55 122.46 1s62 n ASP 33 Ca 0.00 -1.61 -0.07 0.00 -0.01 0.00 0.00 54.79 53.10 1s62 n ASP 33 Cb 0.00 -0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.09 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s62 h ALA 34 N 3.42 0.57 0.00 2.12 0.00 -1.94 -2.70 119.26 120.73 1s62 h ALA 34 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1s62 h ALA 34 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s62 h ALA 34 CO 0.00 0.94 0.00 0.77 0.00 0.00 0.00 179.25 180.96 1s62 h SER 35 N 0.07 0.00 -1.36 0.00 0.02 -1.10 -3.42 113.55 107.77 1s62 h SER 35 Ca -0.03 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.54 1s62 h SER 35 Cb 1.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.98 1s62 h SER 35 CO 0.12 0.00 1.05 -0.44 -1.14 0.00 0.00 176.83 176.43 1s62 s SER 36 N -5.49 5.03 0.02 3.07 0.01 -1.02 -3.18 113.70 112.14 1s62 s SER 36 Ca 0.07 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1s62 s SER 36 Cb 0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1s62 s SER 36 CO 0.60 -2.68 0.00 0.00 0.41 0.00 0.00 173.24 171.57 1s62 n TYR 37 N 13.98 -0.06 -2.76 2.43 9.36 -1.26 -5.02 117.16 133.83 1s62 n TYR 37 Ca 0.31 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.54 1s62 n TYR 37 Cb 0.50 0.08 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s62 n ALA 38 N -2.65 0.00 -1.75 2.98 0.00 -1.26 -5.00 120.51 112.83 1s62 n ALA 38 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1s62 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1s62 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s62 n GLY 39 N 0.00 4.91 3.96 0.00 0.00 -1.26 -4.30 105.19 108.51 1s62 n GLY 39 Ca 0.00 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 1s62 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s62 s LYS 40 N -2.53 2.90 0.16 1.61 -0.14 -1.26 -5.04 119.74 115.43 1s62 s LYS 40 Ca 0.55 -0.64 0.10 0.00 -1.36 0.00 0.00 55.97 54.62 1s62 s LYS 40 Cb 0.37 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 1s62 s LYS 40 CO -0.26 -0.39 -0.21 0.95 -0.76 0.00 0.00 175.35 174.68 1s62 s THR 41 N -2.59 2.57 -0.39 2.17 -4.23 -1.26 -4.15 115.64 107.76 1s62 s THR 41 Ca 0.51 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1s62 s THR 41 Cb -0.10 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.72 1s62 s THR 41 CO 0.37 -0.01 0.72 0.00 -0.54 0.00 0.00 174.62 175.17 1s62 s THR 43 N 1.91 3.83 -0.30 0.00 2.01 0.32 0.09 115.64 123.50 1s62 s THR 43 Ca 0.16 0.97 -0.13 0.00 0.31 0.00 0.00 61.69 63.00 1s62 s THR 43 Cb -0.03 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1s62 s THR 43 CO -0.09 -0.24 0.25 -0.76 -0.69 0.00 0.00 174.62 173.09 1s62 s LEU 44 N 4.56 4.21 -0.71 4.42 1.43 0.62 0.24 118.68 133.46 1s62 s LEU 44 Ca 0.67 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.39 1s62 s LEU 44 Cb -0.25 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.81 1s62 s LEU 44 CO 0.26 -0.16 1.24 -0.60 0.23 0.00 0.00 176.35 177.33 1s62 s ARG 45 N 1.82 3.24 -0.04 1.70 3.52 0.12 -1.74 118.95 127.58 1s62 s ARG 45 Ca 0.08 -0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.56 1s62 s ARG 45 Cb -0.16 -4.15 -0.01 0.00 -1.56 0.00 0.00 34.95 29.06 1s62 s ARG 45 CO 0.11 -2.04 -0.25 0.96 -0.81 0.00 0.00 175.30 173.27 1s62 s ILE 46 N 5.49 2.03 -0.22 4.11 -4.36 -1.25 -1.75 121.20 125.23 1s62 s ILE 46 Ca 0.36 -1.07 -0.01 0.00 -0.26 0.00 0.00 60.65 59.67 1s62 s ILE 46 Cb -0.08 -1.70 0.06 0.00 1.25 0.00 0.00 42.46 41.99 1s62 s ILE 46 CO 0.17 0.57 -0.00 -0.54 0.24 0.00 0.00 174.94 175.37 1s62 s LYS 47 N -0.34 1.15 -0.01 0.37 1.02 -0.11 -2.99 119.74 118.82 1s62 s LYS 47 Ca 0.02 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.26 1s62 s LYS 47 Cb -0.12 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1s62 s LYS 47 CO 0.02 -0.65 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.62 1s62 s LEU 48 N 1.60 3.43 0.27 3.17 2.96 0.37 -1.65 118.68 128.83 1s62 s LEU 48 Ca -0.03 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1s62 s LEU 48 Cb -0.18 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1s62 s LEU 48 CO -0.08 0.29 0.38 0.00 -1.32 0.00 0.00 176.35 175.62 1s62 s ALA 49 N -1.04 3.99 -0.23 5.97 0.00 -0.66 -3.77 121.76 126.02 1s62 s ALA 49 Ca 0.18 -1.31 0.16 0.00 0.00 0.00 0.00 51.96 51.00 1s62 s ALA 49 Cb -0.11 -1.68 0.90 0.00 0.00 0.00 0.00 23.12 22.22 1s62 s ALA 49 CO 0.09 0.16 1.47 -2.30 0.00 0.00 0.00 175.76 175.18 1s62 n PRO 50 N -1.46 0.11 0.04 0.00 -0.02 -1.26 -0.18 135.00 132.24 1s62 n PRO 50 Ca -0.06 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1s62 n PRO 50 Cb 0.57 -1.95 0.49 0.00 -0.02 0.00 0.00 33.50 32.60 1s62 n PRO 50 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1s62 n ASP 51 N -2.09 0.31 -0.21 2.55 2.03 -1.26 -3.71 116.55 114.16 1s62 n ASP 51 Ca -0.01 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1s62 n ASP 51 Cb 0.12 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s62 n GLY 52 N 1.03 0.74 3.34 0.27 0.00 0.75 -4.87 105.19 106.45 1s62 n GLY 52 Ca 0.05 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1s62 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s62 s MET 53 N -4.03 1.76 -0.62 1.61 0.23 -1.24 -4.89 119.30 112.11 1s62 s MET 53 Ca 0.00 -1.10 -0.15 0.00 -1.03 0.00 0.00 55.69 53.41 1s62 s MET 53 Cb 0.00 -1.93 0.15 0.00 -1.53 0.00 0.00 34.83 31.53 1s62 s MET 53 CO 0.00 0.50 0.57 -0.48 -2.03 0.00 0.00 175.02 173.58 1s62 s LEU 54 N -1.24 6.34 0.27 0.18 0.05 -1.26 -1.66 118.68 121.37 1s62 s LEU 54 Ca 0.11 -2.05 0.11 0.00 0.05 0.00 0.00 54.13 52.35 1s62 s LEU 54 Cb -0.10 -2.21 0.34 0.00 -2.05 0.00 0.00 46.19 42.18 1s62 s LEU 54 CO 0.02 -0.78 1.60 0.17 -0.55 0.00 0.00 176.35 176.81 1s62 h LEU 55 N 8.57 0.00 -7.90 1.48 -0.00 -1.71 -3.42 115.31 112.34 1s62 h LEU 55 Ca -0.19 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.18 1s62 h LEU 55 Cb 1.08 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 41.40 1s62 h LEU 55 CO 0.96 0.63 -0.81 -0.62 -0.00 0.00 0.00 178.44 178.59 1s62 s ASP 56 N -6.82 1.87 -0.29 0.17 2.15 -1.23 -5.00 116.67 107.52 1s62 s ASP 56 Ca -0.01 -0.30 -0.00 0.00 0.43 0.00 0.00 52.55 52.67 1s62 s ASP 56 Cb 0.12 -0.82 0.19 0.00 -0.30 0.00 0.00 42.92 42.11 1s62 s ASP 56 CO 0.76 -0.01 0.58 -0.51 -0.17 0.00 0.00 175.17 175.81 1s62 s ILE 57 N 0.97 -0.96 -0.02 4.11 2.07 -1.13 -0.94 121.20 125.31 1s62 s ILE 57 Ca -0.09 -0.01 -0.27 0.00 -1.41 0.00 0.00 60.65 58.87 1s62 s ILE 57 Cb -0.15 -0.98 0.06 0.00 0.13 0.00 0.00 42.46 41.52 1s62 s ILE 57 CO 0.00 -0.02 0.60 -1.59 -1.91 0.00 0.00 174.94 172.02 1s62 s LYS 58 N 2.82 1.02 -0.13 3.50 -2.85 -0.72 -4.96 119.74 118.42 1s62 s LYS 58 Ca 0.19 0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.94 1s62 s LYS 58 Cb -0.14 0.47 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1s62 s LYS 58 CO -0.21 -0.33 1.40 -2.14 0.10 0.00 0.00 175.35 174.16 1s62 s PRO 59 N -1.57 4.20 -0.05 1.78 0.02 -1.26 0.16 135.00 138.27 1s62 s PRO 59 Ca -0.10 1.83 -0.01 0.00 0.02 0.00 0.00 61.00 62.74 1s62 s PRO 59 Cb -0.01 -3.84 -0.00 0.00 0.02 0.00 0.00 34.50 30.66 1s62 s PRO 59 CO 0.06 -0.77 -0.02 0.93 -0.33 0.00 0.00 177.00 176.87 1s62 h GLU 60 N 8.71 0.00 -3.12 5.54 5.08 -0.57 -3.47 114.58 126.74 1s62 h GLU 60 Ca -0.31 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.78 1s62 h GLU 60 Cb 1.13 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.04 1s62 h GLU 60 CO 0.97 0.00 -0.61 0.20 -1.00 0.00 0.00 179.01 178.56 1s62 s GLY 61 N -2.91 0.01 0.00 -3.84 0.00 -1.24 -4.98 107.32 94.36 1s62 s GLY 61 Ca -0.02 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1s62 s GLY 61 CO 0.03 1.46 0.00 0.61 0.00 0.00 0.00 173.10 175.20 1s62 n GLY 62 N 4.93 -1.59 3.71 0.20 0.00 -1.26 -0.52 105.19 110.67 1s62 n GLY 62 Ca -0.13 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1s62 n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s62 s ASP 63 N -0.79 6.88 0.18 1.61 2.15 -1.06 -4.91 116.67 120.74 1s62 s ASP 63 Ca 0.00 2.24 -0.13 0.00 0.43 0.00 0.00 52.55 55.09 1s62 s ASP 63 Cb 0.00 -2.58 0.18 0.00 -0.30 0.00 0.00 42.92 40.21 1s62 s ASP 63 CO 0.00 -0.62 1.71 -0.65 -0.17 0.00 0.00 175.17 175.44 1s62 h PRO 64 N 6.88 0.19 -0.19 4.34 0.11 -1.98 0.16 132.00 141.51 1s62 h PRO 64 Ca -0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1s62 h PRO 64 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1s62 h PRO 64 CO 0.86 0.13 -0.00 0.00 -0.21 0.00 0.00 178.00 178.77 1s62 h ALA 65 N 1.39 0.26 0.46 -0.75 0.00 -1.99 -1.39 119.26 117.23 1s62 h ALA 65 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1s62 h ALA 65 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s62 h ALA 65 CO -0.33 -0.03 -0.27 1.25 0.00 0.00 0.00 179.25 179.87 1s62 h LEU 66 N 0.09 -0.67 -1.52 0.00 5.85 -1.85 -1.53 115.31 115.69 1s62 h LEU 66 Ca 0.05 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1s62 h LEU 66 Cb 0.39 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1s62 h LEU 66 CO 0.01 -0.43 -0.08 0.00 -0.34 0.00 0.00 178.44 177.60 1s62 h GLN 68 N 0.20 0.43 -0.18 0.00 4.15 -0.97 -1.32 115.11 117.43 1s62 h GLN 68 Ca 0.05 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1s62 h GLN 68 Cb 0.28 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1s62 h GLN 68 CO 0.01 0.48 -0.40 0.00 -1.93 0.00 0.00 178.83 177.00 1s62 h ALA 69 N 0.93 0.98 -0.60 3.38 0.00 -0.83 -2.88 119.26 120.23 1s62 h ALA 69 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1s62 h ALA 69 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1s62 h ALA 69 CO -0.00 0.62 0.35 0.00 0.00 0.00 0.00 179.25 180.22 1s62 h ALA 70 N 1.23 1.49 -0.56 0.00 0.00 -0.44 -0.39 119.26 120.59 1s62 h ALA 70 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s62 h ALA 70 Cb 0.86 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1s62 h ALA 70 CO 0.07 0.44 0.37 -0.07 0.00 0.00 0.00 179.25 180.06 1s62 h LEU 71 N 0.83 0.64 -0.21 0.00 3.38 -1.02 0.29 115.31 119.22 1s62 h LEU 71 Ca 0.22 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1s62 h LEU 71 Cb -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1s62 h LEU 71 CO -0.04 0.47 -0.08 0.00 0.09 0.00 0.00 178.44 178.88 1s62 h ALA 72 N 1.21 0.30 -0.35 1.53 0.00 -1.43 -2.19 119.26 118.33 1s62 h ALA 72 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1s62 h ALA 72 Cb -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s62 h ALA 72 CO -0.05 0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.42 1s62 h ALA 73 N 0.72 0.46 -0.36 0.00 0.00 -0.81 -1.53 119.26 117.73 1s62 h ALA 73 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1s62 h ALA 73 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1s62 h ALA 73 CO 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 1s62 h ALA 74 N 0.95 1.22 -0.13 0.00 0.00 -0.47 0.24 119.26 121.06 1s62 h ALA 74 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1s62 h ALA 74 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1s62 h ALA 74 CO -0.00 0.51 -0.38 0.87 0.00 0.00 0.00 179.25 180.25 1s62 h LYS 75 N 0.56 0.28 0.05 0.00 1.57 -1.22 -2.95 116.57 114.87 1s62 h LYS 75 Ca 0.11 -0.13 -0.24 0.00 -1.87 0.00 0.00 60.65 58.52 1s62 h LYS 75 Cb 0.45 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1s62 h LYS 75 CO 0.02 0.63 -1.13 -0.07 -0.57 0.00 0.00 179.45 178.33 1s62 h LEU 76 N 0.24 0.17 -9.59 2.94 4.07 -0.63 -3.46 115.31 109.05 1s62 h LEU 76 Ca 0.03 -0.19 -0.53 0.00 0.08 0.00 0.00 57.88 57.27 1s62 h LEU 76 Cb 0.78 -0.06 0.04 0.00 1.08 0.00 0.00 40.66 42.50 1s62 h LEU 76 CO 0.06 1.15 0.82 0.00 -1.08 0.00 0.00 178.44 179.38 1s62 s ALA 77 N -2.68 3.70 -1.09 1.53 0.00 0.77 -4.94 121.76 119.05 1s62 s ALA 77 Ca -0.01 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1s62 s ALA 77 Cb 0.09 -3.59 0.14 0.00 0.00 0.00 0.00 23.12 19.76 1s62 s ALA 77 CO 0.84 -0.72 1.33 0.21 0.00 0.00 0.00 175.76 177.43 1s62 s LYS 78 N 1.02 3.86 0.14 0.00 2.47 -1.26 -4.94 119.74 121.02 1s62 s LYS 78 Ca 0.67 -2.13 -0.31 0.00 -1.56 0.00 0.00 55.97 52.65 1s62 s LYS 78 Cb -0.41 -5.06 -0.08 0.00 -1.46 0.00 0.00 37.83 30.83 1s62 s LYS 78 CO 0.32 -1.83 1.30 0.42 0.16 0.00 0.00 175.35 175.71 1s62 s ILE 79 N 2.40 3.46 0.11 5.43 1.01 -1.26 -4.95 121.20 127.40 1s62 s ILE 79 Ca 0.40 1.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.86 1s62 s ILE 79 Cb -0.03 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 1s62 s ILE 79 CO -0.04 0.13 1.77 -2.16 0.00 0.00 0.00 174.94 174.64 1s62 s PRO 80 N 0.50 4.16 0.10 2.79 0.04 -1.26 -4.90 135.00 136.42 1s62 s PRO 80 Ca 0.59 2.51 -0.30 0.00 0.04 0.00 0.00 61.00 63.84 1s62 s PRO 80 Cb -0.35 -3.59 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 1s62 s PRO 80 CO 0.34 -0.81 1.13 -1.59 0.04 0.00 0.00 177.00 176.11 1s62 s LYS 81 N 2.68 4.51 -0.22 4.56 0.00 -1.26 -4.91 119.74 125.10 1s62 s LYS 81 Ca 0.79 1.71 -0.35 0.00 0.00 0.00 0.00 55.97 58.12 1s62 s LYS 81 Cb -0.44 -3.33 -0.12 0.00 0.00 0.00 0.00 37.83 33.94 1s62 s LYS 81 CO 0.35 -0.10 2.00 -2.30 0.00 0.00 0.00 175.35 175.30 1s62 n PRO 82 N 3.28 1.61 -0.00 1.78 -0.02 -1.24 -4.91 135.00 135.50 1s62 n PRO 82 Ca 0.06 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1s62 n PRO 82 Cb 0.47 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1s62 h PRO 83 N 10.51 0.00 -7.00 0.52 0.14 -1.92 -3.45 132.00 130.79 1s62 h PRO 83 Ca -0.40 0.00 -0.50 0.00 0.14 0.00 0.00 66.00 65.24 1s62 h PRO 83 Cb 1.29 0.00 0.06 0.00 0.14 0.00 0.00 31.00 32.49 1s62 h PRO 83 CO 0.98 0.00 0.47 -1.54 0.14 0.00 0.00 178.00 178.04 1s62 s SER 84 N -3.18 6.23 0.50 1.44 1.04 -1.26 -4.92 113.70 113.55 1s62 s SER 84 Ca -0.00 2.25 0.23 0.00 0.48 0.00 0.00 55.95 58.90 1s62 s SER 84 Cb 0.00 -2.60 1.30 0.00 0.10 0.00 0.00 66.02 64.82 1s62 s SER 84 CO 0.00 -0.87 2.05 -0.61 0.98 0.00 0.00 173.24 174.79 1s62 h GLN 85 N 2.05 0.00 0.00 4.02 4.15 -1.98 -1.65 115.11 121.70 1s62 h GLN 85 Ca -0.49 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.90 1s62 h GLN 85 Cb 1.24 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 1s62 h GLN 85 CO 0.60 0.14 -0.11 0.00 -1.93 0.00 0.00 178.83 177.53 1s62 h ALA 86 N 1.86 1.56 0.02 3.38 0.00 -1.98 -1.80 119.26 122.29 1s62 h ALA 86 Ca -0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1s62 h ALA 86 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1s62 h ALA 86 CO 0.02 0.14 -0.94 0.28 0.00 0.00 0.00 179.25 178.76 1s62 h VAL 87 N 0.00 1.55 -0.49 0.00 2.07 -1.67 -3.19 116.25 114.52 1s62 h VAL 87 Ca -0.00 -2.84 -0.02 0.00 0.82 0.00 0.00 66.70 64.66 1s62 h VAL 87 Cb 0.24 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1s62 h VAL 87 CO 0.01 0.82 0.21 0.22 0.02 0.00 0.00 177.57 178.86 1s62 h TYR 88 N 0.07 0.68 0.00 1.57 3.20 -1.31 -1.53 116.97 119.66 1s62 h TYR 88 Ca -0.04 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 1s62 h TYR 88 Cb 1.60 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 1s62 h TYR 88 CO 0.02 0.52 -0.28 1.05 -1.64 0.00 0.00 178.16 177.84 1s62 h GLU 89 N 0.69 0.00 0.44 1.82 -0.00 -1.51 -1.41 114.58 114.61 1s62 h GLU 89 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.51 1s62 h GLU 89 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1s62 h GLU 89 CO -0.02 0.28 -0.21 0.28 -0.00 0.00 0.00 179.01 179.34 1s62 h VAL 90 N 0.00 0.36 -0.07 -1.06 2.07 -1.33 -3.24 116.25 112.97 1s62 h VAL 90 Ca -0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1s62 h VAL 90 Cb 0.60 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1s62 h VAL 90 CO 0.04 0.07 0.00 0.33 0.02 0.00 0.00 177.57 178.02 1s62 n PHE 91 N -5.20 0.09 0.28 1.57 -0.00 -1.16 -3.74 117.46 109.30 1s62 n PHE 91 Ca -0.10 -0.05 0.15 0.00 -0.00 0.00 0.00 57.45 57.46 1s62 n PHE 91 Cb 0.29 0.00 0.82 0.00 -0.00 0.00 0.00 39.48 40.59 1s62 n PHE 91 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1s62 h LYS 92 N 1.26 0.00 -0.67 -4.13 3.64 -1.28 0.11 116.57 115.50 1s62 h LYS 92 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1s62 h LYS 92 Cb 0.28 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.94 1s62 h LYS 92 CO 0.00 0.08 -0.41 -1.71 -2.27 0.00 0.00 179.45 175.14 1s62 n ASN 93 N -3.57 -2.94 -3.53 4.20 5.15 -1.25 -4.44 115.26 108.88 1s62 n ASN 93 Ca -0.02 -2.57 -0.28 0.00 -0.60 0.00 0.00 54.58 51.11 1s62 n ASN 93 Cb 0.20 1.54 -0.11 0.00 -0.53 0.00 0.00 39.78 40.88 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s62 s ALA 94 N 0.84 1.74 -0.55 5.20 0.00 -1.16 -5.05 121.76 122.78 1s62 s ALA 94 Ca 0.29 -2.52 -0.28 0.00 0.00 0.00 0.00 51.96 49.46 1s62 s ALA 94 Cb 0.06 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1s62 s ALA 94 CO -0.09 -2.04 1.53 -2.14 0.00 0.00 0.00 175.76 173.02 1s62 s PRO 95 N 0.16 3.19 0.08 0.00 0.02 -1.25 -4.40 135.00 132.79 1s62 s PRO 95 Ca 0.25 0.57 -0.18 0.00 0.02 0.00 0.00 61.00 61.67 1s62 s PRO 95 Cb -0.09 -4.18 -0.07 0.00 0.02 0.00 0.00 34.50 30.19 1s62 s PRO 95 CO -0.11 -2.06 0.55 -0.51 -0.33 0.00 0.00 177.00 174.54 1s62 s LEU 96 N 6.64 4.50 -0.41 -5.54 1.02 -0.71 -4.76 118.68 119.42 1s62 s LEU 96 Ca 0.57 1.21 -0.23 0.00 0.02 0.00 0.00 54.13 55.70 1s62 s LEU 96 Cb -0.12 -2.91 0.02 0.00 0.02 0.00 0.00 46.19 43.19 1s62 s LEU 96 CO 0.25 0.26 0.80 -0.62 0.02 0.00 0.00 176.35 177.06 1s62 s ASP 97 N -1.19 6.50 -0.43 2.29 2.15 -1.26 -0.27 116.67 124.46 1s62 s ASP 97 Ca 0.30 0.17 -0.24 0.00 0.43 0.00 0.00 52.55 53.20 1s62 s ASP 97 Cb -0.19 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 40.06 1s62 s ASP 97 CO 0.18 -0.84 0.84 0.12 -0.17 0.00 0.00 175.17 175.31 1s62 s PHE 98 N 3.25 3.00 -0.11 -5.34 5.36 0.11 -4.85 117.98 119.41 1s62 s PHE 98 Ca 0.32 0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 56.62 1s62 s PHE 98 Cb -0.12 -3.70 -0.04 0.00 -0.34 0.00 0.00 43.02 38.82 1s62 s PHE 98 CO 0.20 -0.95 0.04 0.15 -1.46 0.00 0.00 175.22 173.20 1s62 s LYS 99 N 3.41 3.22 -0.33 10.12 1.02 -1.26 -2.95 119.74 132.96 1s62 s LYS 99 Ca 0.33 -0.34 -0.33 0.00 0.02 0.00 0.00 55.97 55.65 1s62 s LYS 99 Cb -0.12 -2.94 -0.10 0.00 -0.52 0.00 0.00 37.83 34.16 1s62 s LYS 99 CO 0.22 0.66 2.22 -2.30 -0.92 0.00 0.00 175.35 175.23 1s62 n PRO 100 N 2.30 1.26 -1.83 -1.68 -0.02 -1.26 -4.90 135.00 128.87 1s62 n PRO 100 Ca -0.19 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 1s62 n PRO 100 Cb 0.54 -2.66 0.02 0.00 -0.02 0.00 0.00 33.50 31.37 1s62 n PRO 100 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1s62 s HIS 101 N 7.78 2.49 0.00 6.00 3.76 -1.19 -4.75 115.29 129.38 1s62 s HIS 101 Ca 1.08 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 57.28 1s62 s HIS 101 Cb -0.72 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.10 1s62 s HIS 101 CO 0.45 -2.81 0.00 1.58 -0.85 0.00 0.00 174.74 173.10