#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 s GLU 2 N 0.00 4.72 -0.69 0.00 8.01 -1.26 -4.97 118.70 124.50 1s62 s GLU 2 Ca 0.00 1.57 0.00 0.00 0.01 0.00 0.00 54.97 56.56 1s62 s GLU 2 Cb 0.00 -3.15 0.38 0.00 -4.31 0.00 0.00 34.13 27.05 1s62 s GLU 2 CO 0.00 0.35 1.72 1.19 0.01 0.00 0.00 175.26 178.53 1s62 n PHE 3 N 1.19 3.12 -2.90 1.61 3.72 -1.26 -5.04 117.46 117.91 1s62 n PHE 3 Ca -0.01 -2.61 0.00 0.00 -0.05 0.00 0.00 57.45 54.78 1s62 n PHE 3 Cb 0.47 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 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 -0.55 2.19 2.92 1.37 0.00 -1.26 -4.62 105.19 105.25 1s62 n GLY 4 Ca 0.50 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1s62 n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s62 s ASN 5 N -4.00 0.26 -0.35 1.61 3.84 -1.26 -4.97 114.94 110.07 1s62 s ASN 5 Ca 0.00 0.39 -0.09 0.00 0.21 0.00 0.00 52.86 53.38 1s62 s ASN 5 Cb 0.00 0.33 0.01 0.00 -0.55 0.00 0.00 41.25 41.04 1s62 s ASN 5 CO 0.00 -0.20 0.44 0.41 -2.79 0.00 0.00 177.10 174.96 1s62 n THR 6 N 4.81 -8.20 -0.70 -5.21 -1.04 -1.26 -4.91 114.28 97.77 1s62 n THR 6 Ca -0.15 0.45 -0.17 0.00 -2.04 0.00 0.00 64.05 62.14 1s62 n THR 6 Cb 0.51 -6.24 0.06 0.00 -1.82 0.00 0.00 70.33 62.84 1s62 n THR 6 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1s62 n LYS 7 N -0.64 1.83 -4.32 -2.82 0.00 -1.26 -4.88 118.16 106.08 1s62 n LYS 7 Ca 0.06 -1.72 -0.22 0.00 0.00 0.00 0.00 58.31 56.43 1s62 n LYS 7 Cb 0.36 -1.68 -0.11 0.00 0.00 0.00 0.00 35.03 33.61 1s62 n LYS 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1s62 s ASN 8 N -0.12 2.60 -0.34 3.14 0.01 -1.26 -5.11 114.94 113.86 1s62 s ASN 8 Ca 0.34 -0.83 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 1s62 s ASN 8 Cb 0.27 -0.15 0.19 0.00 0.41 0.00 0.00 41.25 41.97 1s62 s ASN 8 CO 0.02 -0.03 0.72 0.21 -1.51 0.00 0.00 177.10 176.51 1s62 s ASN 9 N -2.52 -1.29 0.00 -1.22 3.84 -1.26 -5.16 114.94 107.32 1s62 s ASN 9 Ca 0.14 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 52.98 1s62 s ASN 9 Cb -0.06 1.73 0.00 0.00 -0.55 0.00 0.00 41.25 42.36 1s62 s ASN 9 CO 0.06 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.79 1s62 n GLY 10 N 4.82 5.37 3.83 1.21 0.00 -1.26 -5.18 105.19 113.98 1s62 n GLY 10 Ca 0.08 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.02 0.02 4.61 0.00 -1.26 -5.13 121.76 116.98 1s62 s ALA 11 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1s62 s ALA 11 Cb 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.76 1s62 s ALA 11 CO 0.00 -1.01 1.42 -1.12 0.00 0.00 0.00 175.76 175.04 1s62 s SER 12 N -3.16 6.83 0.00 0.00 0.01 -1.26 -3.28 113.70 112.84 1s62 s SER 12 Ca 0.17 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1s62 s SER 12 Cb -0.04 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1s62 s SER 12 CO 0.09 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1s62 n GLY 13 N 3.64 0.96 0.27 3.44 0.00 -1.26 -4.96 105.19 107.29 1s62 n GLY 13 Ca 0.13 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 h ALA 14 N 0.00 1.70 0.55 4.61 0.00 -1.96 0.09 119.26 124.25 1s62 h ALA 14 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1s62 h ALA 14 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s62 h ALA 14 CO 0.00 0.04 -0.28 0.22 0.00 0.00 0.00 179.25 179.23 1s62 h ASP 15 N 0.00 -0.67 -0.26 0.00 3.58 -1.94 0.60 116.42 117.73 1s62 h ASP 15 Ca -0.00 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 1s62 h ASP 15 Cb 0.07 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1s62 h ASP 15 CO 0.00 -0.47 -0.31 0.40 -2.88 0.00 0.00 179.24 175.99 1s62 h ILE 16 N -0.76 1.31 0.00 2.25 2.04 -1.88 -3.17 117.51 117.30 1s62 h ILE 16 Ca -0.07 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 1s62 h ILE 16 Cb 0.59 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1s62 h ILE 16 CO 0.11 0.47 -0.16 -1.13 0.00 0.00 0.00 178.15 177.44 1s62 h ASN 17 N 0.41 0.00 -0.33 1.72 -0.73 -0.94 0.17 115.58 115.88 1s62 h ASN 17 Ca 0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1s62 h ASN 17 Cb 0.89 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 1s62 h ASN 17 CO 0.07 0.16 0.16 -1.13 -0.37 0.00 0.00 177.43 176.32 1s62 h ASN 18 N 0.00 0.43 0.98 1.15 -1.24 -0.84 0.12 115.58 116.17 1s62 h ASN 18 Ca -0.00 -0.12 -0.17 0.00 0.71 0.00 0.00 56.30 56.72 1s62 h ASN 18 Cb 0.29 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 1s62 h ASN 18 CO 0.02 0.43 -0.79 0.22 -1.29 0.00 0.00 177.43 176.02 1s62 h TYR 19 N 0.39 0.00 -0.47 0.67 3.20 -1.53 -2.97 116.97 116.26 1s62 h TYR 19 Ca 0.11 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 1s62 h TYR 19 Cb 0.12 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1s62 h TYR 19 CO -0.02 0.79 0.09 0.00 -1.64 0.00 0.00 178.16 177.38 1s62 h ALA 20 N 1.21 1.29 -0.22 1.82 0.00 -0.66 -1.75 119.26 120.95 1s62 h ALA 20 Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1s62 h ALA 20 Cb 1.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1s62 h ALA 20 CO 0.10 0.49 -0.26 0.78 0.00 0.00 0.00 179.25 180.37 1s62 h GLY 21 N 0.91 0.44 1.00 0.00 0.00 -0.66 -1.50 103.07 103.26 1s62 h GLY 21 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1s62 h GLY 21 CO 0.00 0.32 0.27 1.46 0.00 0.00 0.00 176.54 178.60 1s62 h GLN 22 N 0.36 0.56 -0.30 4.80 7.50 -1.18 0.11 115.11 126.96 1s62 h GLN 22 Ca 0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.13 1s62 h GLN 22 Cb 0.65 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1s62 h GLN 22 CO 0.05 0.39 0.06 0.82 -1.50 0.00 0.00 178.83 178.65 1s62 h ILE 23 N 0.57 1.22 -0.59 2.54 2.04 -1.18 -0.04 117.51 122.08 1s62 h ILE 23 Ca 0.15 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1s62 h ILE 23 Cb -0.05 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1s62 h ILE 23 CO -0.03 0.25 0.37 0.11 0.00 0.00 0.00 178.15 178.85 1s62 h LYS 24 N 0.33 0.78 -0.19 2.37 1.57 -0.97 -1.12 116.57 119.34 1s62 h LYS 24 Ca 0.09 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 1s62 h LYS 24 Cb 0.31 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1s62 h LYS 24 CO 0.00 0.53 -0.67 0.77 -0.57 0.00 0.00 179.45 179.51 1s62 h SER 25 N 0.80 0.91 -0.88 0.86 0.02 -0.51 -2.73 113.55 112.02 1s62 h SER 25 Ca 0.21 -0.60 0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1s62 h SER 25 Cb -0.06 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.16 1s62 h SER 25 CO -0.04 1.36 0.58 0.00 -1.14 0.00 0.00 176.83 177.58 1s62 h ALA 26 N 0.58 1.47 -0.41 3.77 0.00 -0.43 -1.35 119.26 122.88 1s62 h ALA 26 Ca -0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1s62 h ALA 26 Cb 1.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1s62 h ALA 26 CO 0.14 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.66 1s62 h ILE 27 N 1.07 1.26 0.00 0.00 2.04 -1.14 -2.98 117.51 117.76 1s62 h ILE 27 Ca 0.36 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1s62 h ILE 27 Cb 0.06 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1s62 h ILE 27 CO -0.11 0.34 -0.17 -0.08 0.00 0.00 0.00 178.15 178.13 1s62 h GLU 28 N 0.55 0.00 0.00 2.37 4.22 -1.12 -0.40 114.58 120.20 1s62 h GLU 28 Ca 0.12 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.47 1s62 h GLU 28 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1s62 h GLU 28 CO 0.02 0.17 -0.42 0.66 -2.18 0.00 0.00 179.01 177.26 1s62 h SER 29 N 0.00 0.00 0.00 1.04 4.64 -1.15 -2.58 113.55 115.49 1s62 h SER 29 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1s62 h SER 29 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1s62 h SER 29 CO 0.02 0.42 -0.38 0.11 -0.87 0.00 0.00 176.83 176.14 1s62 h LYS 30 N 0.00 0.00 -3.46 4.77 6.56 -1.37 -3.38 116.57 119.69 1s62 h LYS 30 Ca -0.00 0.00 -0.79 0.00 -1.06 0.00 0.00 60.65 58.79 1s62 h LYS 30 Cb 1.00 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.40 1s62 h LYS 30 CO 0.05 0.81 0.82 1.19 -2.06 0.00 0.00 179.45 180.26 1s62 n PHE 31 N -4.58 3.97 -0.02 -1.35 3.01 -0.18 -4.90 117.46 113.41 1s62 n PHE 31 Ca -0.15 -3.28 -0.09 0.00 1.01 0.00 0.00 57.45 54.95 1s62 n PHE 31 Cb 0.46 -1.62 -0.02 0.00 -0.01 0.00 0.00 39.48 38.28 1s62 n PHE 31 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1s62 h TYR 32 N 6.19 -0.36 -0.00 1.38 -0.00 -1.66 -0.97 116.97 121.54 1s62 h TYR 32 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.98 1s62 h TYR 32 Cb 0.76 0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.67 1s62 h TYR 32 CO 0.93 -0.21 -0.83 -3.47 -0.00 0.00 0.00 178.16 174.57 1s62 n ASP 33 N -5.30 0.90 -0.04 0.10 2.03 -1.26 -4.10 116.55 108.88 1s62 n ASP 33 Ca -0.02 -0.95 -0.05 0.00 0.52 0.00 0.00 54.79 54.29 1s62 n ASP 33 Cb 0.21 0.98 -0.05 0.00 -0.72 0.00 0.00 41.12 41.54 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s62 h ALA 34 N 2.59 -0.03 0.00 -1.67 0.00 -1.92 -3.36 119.26 114.88 1s62 h ALA 34 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1s62 h ALA 34 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s62 h ALA 34 CO 0.00 -0.03 0.00 0.77 0.00 0.00 0.00 179.25 179.99 1s62 h SER 35 N -1.00 0.00 -0.76 0.00 0.02 -1.39 -3.29 113.55 107.14 1s62 h SER 35 Ca -0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 1s62 h SER 35 Cb 0.36 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.75 1s62 h SER 35 CO 0.01 0.00 0.21 -1.54 -1.14 0.00 0.00 176.83 174.36 1s62 n SER 36 N -2.37 6.17 -0.03 3.07 3.41 -1.26 -1.68 113.62 120.93 1s62 n SER 36 Ca 0.03 -3.02 -0.01 0.00 -0.26 0.00 0.00 58.87 55.61 1s62 n SER 36 Cb 0.31 -1.26 -0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1s62 n SER 36 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1s62 h TYR 37 N 2.86 0.00 -1.31 7.33 5.03 -1.62 -3.45 116.97 125.80 1s62 h TYR 37 Ca 0.33 0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.79 1s62 h TYR 37 Cb 0.92 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.15 1s62 h TYR 37 CO 1.47 0.00 -0.30 0.00 -1.32 0.00 0.00 178.16 178.01 1s62 n ALA 38 N -2.67 -1.48 0.00 1.82 0.00 -1.25 -4.89 120.51 112.04 1s62 n ALA 38 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1s62 n ALA 38 Cb 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.88 1.75 3.98 0.00 0.00 -1.26 -4.93 105.19 101.85 1s62 n GLY 39 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.03 0.12 1.61 -0.14 -1.26 -5.12 119.74 117.98 1s62 s LYS 40 Ca 0.00 -0.86 0.05 0.00 -1.36 0.00 0.00 55.97 53.80 1s62 s LYS 40 Cb 0.00 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 1s62 s LYS 40 CO 0.00 -0.12 -0.11 0.99 -0.76 0.00 0.00 175.35 175.34 1s62 s THR 41 N -2.35 1.17 0.02 2.17 2.01 -1.26 -4.36 115.64 113.03 1s62 s THR 41 Ca 0.48 -1.82 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 1s62 s THR 41 Cb -0.10 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 1s62 s THR 41 CO 0.34 -0.58 0.06 0.00 -0.69 0.00 0.00 174.62 173.75 1s62 s THR 43 N -1.77 1.65 -0.38 0.00 2.01 0.77 0.41 115.64 118.33 1s62 s THR 43 Ca -0.12 -1.72 -0.19 0.00 0.31 0.00 0.00 61.69 59.96 1s62 s THR 43 Cb -0.07 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.34 1s62 s THR 43 CO -0.01 -0.46 0.58 -0.76 -0.69 0.00 0.00 174.62 173.28 1s62 s LEU 44 N 1.26 4.40 -1.05 4.42 1.43 -0.96 -2.97 118.68 125.20 1s62 s LEU 44 Ca 0.05 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 1s62 s LEU 44 Cb -0.18 -2.67 0.07 0.00 0.03 0.00 0.00 46.19 43.44 1s62 s LEU 44 CO -0.12 -0.60 1.45 -0.13 0.23 0.00 0.00 176.35 177.17 1s62 s ARG 45 N 2.58 3.67 0.09 1.70 1.81 0.22 -1.61 118.95 127.42 1s62 s ARG 45 Ca 0.21 -1.40 0.01 0.00 -1.72 0.00 0.00 55.73 52.84 1s62 s ARG 45 Cb -0.15 -5.31 -0.04 0.00 -0.45 0.00 0.00 34.95 29.00 1s62 s ARG 45 CO 0.15 -2.14 0.21 0.96 -0.68 0.00 0.00 175.30 173.81 1s62 s ILE 46 N 4.41 5.21 -0.40 1.52 -4.36 -1.26 -2.25 121.20 124.07 1s62 s ILE 46 Ca 0.45 -0.57 0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1s62 s ILE 46 Cb -0.00 -3.59 0.14 0.00 1.25 0.00 0.00 42.46 40.26 1s62 s ILE 46 CO -0.07 0.06 0.24 -0.75 0.24 0.00 0.00 174.94 174.65 1s62 s LYS 47 N -2.74 0.95 -0.16 0.37 2.36 0.64 -3.16 119.74 118.00 1s62 s LYS 47 Ca 0.34 -1.73 -0.29 0.00 -2.55 0.00 0.00 55.97 51.74 1s62 s LYS 47 Cb -0.12 -1.84 -0.00 0.00 -1.05 0.00 0.00 37.83 34.82 1s62 s LYS 47 CO 0.27 -1.20 0.99 -1.17 1.55 0.00 0.00 175.35 175.79 1s62 s LEU 48 N 0.63 4.18 0.54 5.43 2.96 -1.08 -3.80 118.68 127.53 1s62 s LEU 48 Ca 0.19 1.42 -0.18 0.00 -0.22 0.00 0.00 54.13 55.34 1s62 s LEU 48 Cb -0.22 -3.50 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 1s62 s LEU 48 CO -0.01 -0.52 1.05 0.00 -1.32 0.00 0.00 176.35 175.56 1s62 s ALA 49 N 2.45 2.80 0.12 5.97 0.00 -0.71 -3.80 121.76 128.59 1s62 s ALA 49 Ca 0.45 0.52 0.25 0.00 0.00 0.00 0.00 51.96 53.18 1s62 s ALA 49 Cb -0.17 -3.25 1.36 0.00 0.00 0.00 0.00 23.12 21.06 1s62 s ALA 49 CO 0.13 -0.58 1.74 -1.00 0.00 0.00 0.00 175.76 176.05 1s62 h PRO 50 N 0.99 0.00 0.00 0.00 0.13 -1.93 0.30 132.00 131.50 1s62 h PRO 50 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s62 h PRO 50 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1s62 h PRO 50 CO 0.58 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 1s62 n ASP 51 N -2.44 0.62 -1.34 1.44 2.03 -1.26 -4.14 116.55 111.46 1s62 n ASP 51 Ca -0.02 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1s62 n ASP 51 Cb 0.15 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 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 -0.01 0.92 3.47 0.27 0.00 0.11 -4.66 105.19 105.28 1s62 n GLY 52 Ca 0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.90 0.86 -1.07 1.61 0.23 -1.23 -4.67 119.30 112.12 1s62 s MET 53 Ca 0.00 0.41 -0.11 0.00 -1.03 0.00 0.00 55.69 54.96 1s62 s MET 53 Cb 0.00 0.40 0.25 0.00 -1.53 0.00 0.00 34.83 33.96 1s62 s MET 53 CO 0.00 -0.21 1.10 -0.51 -2.03 0.00 0.00 175.02 173.37 1s62 s LEU 54 N -0.63 6.21 0.49 0.18 1.02 -1.26 -1.74 118.68 122.95 1s62 s LEU 54 Ca -0.07 -3.33 0.29 0.00 0.02 0.00 0.00 54.13 51.04 1s62 s LEU 54 Cb -0.03 -2.24 0.98 0.00 0.02 0.00 0.00 46.19 44.92 1s62 s LEU 54 CO 0.05 -0.41 1.84 0.17 0.02 0.00 0.00 176.35 178.02 1s62 h LEU 55 N 7.35 0.00 -7.81 1.79 8.10 -1.98 -3.40 115.31 119.35 1s62 h LEU 55 Ca 0.18 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.57 1s62 h LEU 55 Cb 0.91 0.00 -0.37 0.00 -0.44 0.00 0.00 40.66 40.76 1s62 h LEU 55 CO 1.00 0.00 -0.82 -0.62 -4.11 0.00 0.00 178.44 173.90 1s62 s ASP 56 N -5.76 2.98 -0.30 0.17 -1.08 -1.25 -5.03 116.67 106.40 1s62 s ASP 56 Ca 0.04 -0.67 -0.02 0.00 -0.52 0.00 0.00 52.55 51.38 1s62 s ASP 56 Cb 0.08 -1.16 0.18 0.00 -1.46 0.00 0.00 42.92 40.55 1s62 s ASP 56 CO 0.58 -0.11 0.59 -0.51 0.52 0.00 0.00 175.17 176.24 1s62 s ILE 57 N 1.47 -0.98 -0.02 4.11 2.07 -1.25 -0.26 121.20 126.36 1s62 s ILE 57 Ca 0.02 -0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1s62 s ILE 57 Cb -0.14 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.47 1s62 s ILE 57 CO -0.09 -0.01 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.38 1s62 s LYS 58 N 2.84 0.27 -1.38 3.50 -0.14 -0.95 -4.95 119.74 118.93 1s62 s LYS 58 Ca 0.18 -0.02 -0.15 0.00 -1.36 0.00 0.00 55.97 54.61 1s62 s LYS 58 Cb -0.15 -0.35 0.06 0.00 -1.68 0.00 0.00 37.83 35.71 1s62 s LYS 58 CO -0.20 -0.03 1.99 -0.35 -0.76 0.00 0.00 175.35 176.00 1s62 n PRO 59 N 3.56 3.04 0.02 -1.68 -0.05 -1.26 -0.61 135.00 138.02 1s62 n PRO 59 Ca -0.20 -2.95 -0.01 0.00 -0.05 0.00 0.00 63.50 60.29 1s62 n PRO 59 Cb 0.55 -3.35 0.27 0.00 -0.05 0.00 0.00 33.50 30.91 1s62 n PRO 59 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1s62 h GLU 60 N 6.66 0.46 -4.08 0.54 4.81 -1.92 -3.45 114.58 117.60 1s62 h GLU 60 Ca 0.51 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.48 1s62 h GLU 60 Cb 0.74 -0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.93 1s62 h GLU 60 CO 1.69 0.59 -0.48 0.20 -0.73 0.00 0.00 179.01 180.27 1s62 s GLY 61 N -3.94 0.54 0.00 1.92 0.00 -1.23 -5.06 107.32 99.56 1s62 s GLY 61 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1s62 s GLY 61 CO 0.77 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1s62 n GLY 62 N -0.10 0.68 3.68 0.20 0.00 -1.26 -0.17 105.19 108.22 1s62 n GLY 62 Ca -0.09 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 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 0.00 6.73 0.21 1.61 2.15 -0.49 -4.91 116.67 121.97 1s62 s ASP 63 Ca 0.00 2.24 -0.10 0.00 0.43 0.00 0.00 52.55 55.12 1s62 s ASP 63 Cb 0.00 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.34 1s62 s ASP 63 CO 0.00 -0.83 1.73 -0.65 -0.17 0.00 0.00 175.17 175.25 1s62 h PRO 64 N 8.48 0.35 -0.14 4.34 0.11 -1.93 0.22 132.00 143.42 1s62 h PRO 64 Ca -0.39 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1s62 h PRO 64 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s62 h PRO 64 CO 0.93 0.23 -0.07 0.00 -0.21 0.00 0.00 178.00 178.89 1s62 h ALA 65 N 1.43 0.20 -0.62 -0.75 0.00 -1.99 -0.94 119.26 116.59 1s62 h ALA 65 Ca 0.30 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1s62 h ALA 65 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1s62 h ALA 65 CO -0.33 -0.01 0.41 1.25 0.00 0.00 0.00 179.25 180.57 1s62 h LEU 66 N -0.04 0.70 -0.90 0.00 5.85 -1.87 -1.18 115.31 117.86 1s62 h LEU 66 Ca 0.03 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1s62 h LEU 66 Cb 0.53 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1s62 h LEU 66 CO 0.02 0.50 0.08 0.00 -0.34 0.00 0.00 178.44 178.70 1s62 h GLN 68 N 0.84 1.12 -0.43 0.00 4.15 -0.48 0.56 115.11 120.86 1s62 h GLN 68 Ca 0.17 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1s62 h GLN 68 Cb 0.39 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1s62 h GLN 68 CO 0.01 0.90 0.28 0.00 -1.93 0.00 0.00 178.83 178.09 1s62 h ALA 69 N 1.16 0.55 -0.06 3.38 0.00 -0.93 -2.20 119.26 121.16 1s62 h ALA 69 Ca 0.25 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1s62 h ALA 69 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s62 h ALA 69 CO -0.02 0.02 -0.40 0.00 0.00 0.00 0.00 179.25 178.85 1s62 h ALA 70 N 1.15 1.22 -0.03 0.00 0.00 -1.12 -2.17 119.26 118.30 1s62 h ALA 70 Ca 0.16 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1s62 h ALA 70 Cb -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1s62 h ALA 70 CO -0.03 0.55 -0.16 -0.07 0.00 0.00 0.00 179.25 179.54 1s62 h LEU 71 N 0.11 -0.47 -0.06 0.00 3.38 -0.25 0.17 115.31 118.19 1s62 h LEU 71 Ca 0.01 0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 1s62 h LEU 71 Cb 0.76 0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1s62 h LEU 71 CO 0.06 -0.21 -1.05 0.00 0.09 0.00 0.00 178.44 177.33 1s62 h ALA 72 N 0.72 0.24 -0.25 1.53 0.00 -1.51 -3.16 119.26 116.83 1s62 h ALA 72 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1s62 h ALA 72 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1s62 h ALA 72 CO -0.18 0.81 0.08 0.00 0.00 0.00 0.00 179.25 179.96 1s62 h ALA 73 N 0.61 0.33 -0.61 0.00 0.00 -1.20 -2.08 119.26 116.31 1s62 h ALA 73 Ca -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1s62 h ALA 73 Cb 1.71 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1s62 h ALA 73 CO 0.19 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.52 1s62 h ALA 74 N 0.91 1.07 0.00 0.00 0.00 -0.76 0.44 119.26 120.93 1s62 h ALA 74 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1s62 h ALA 74 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s62 h ALA 74 CO -0.00 0.61 -0.39 0.87 0.00 0.00 0.00 179.25 180.33 1s62 h LYS 75 N 0.92 0.00 -0.01 0.00 1.57 -1.50 -2.37 116.57 115.17 1s62 h LYS 75 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1s62 h LYS 75 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1s62 h LYS 75 CO 0.00 0.39 -0.16 1.28 -0.57 0.00 0.00 179.45 180.40 1s62 n LEU 76 N -3.63 1.63 -4.91 2.94 4.77 -0.79 -4.91 117.00 112.10 1s62 n LEU 76 Ca -0.01 -0.53 -0.27 0.00 -0.03 0.00 0.00 56.01 55.17 1s62 n LEU 76 Cb 0.50 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1s62 n LEU 76 CO 0.37 0.28 0.28 0.00 -1.33 0.00 0.00 177.39 177.00 1s62 s ALA 77 N -2.24 3.56 -0.55 -1.18 0.00 0.10 -5.03 121.76 116.42 1s62 s ALA 77 Ca 0.29 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 1s62 s ALA 77 Cb 0.20 -2.37 0.11 0.00 0.00 0.00 0.00 23.12 21.05 1s62 s ALA 77 CO 0.43 0.03 0.57 0.21 0.00 0.00 0.00 175.76 177.00 1s62 s LYS 78 N -4.01 3.02 -0.34 0.00 2.20 -1.26 -4.97 119.74 114.38 1s62 s LYS 78 Ca 0.45 -1.44 -0.22 0.00 -0.36 0.00 0.00 55.97 54.39 1s62 s LYS 78 Cb -0.10 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 1s62 s LYS 78 CO 0.35 -1.36 0.72 0.42 -0.36 0.00 0.00 175.35 175.12 1s62 s ILE 79 N 2.11 4.82 0.22 5.43 -1.09 -1.26 -5.01 121.20 126.41 1s62 s ILE 79 Ca 0.07 0.87 -0.32 0.00 -2.23 0.00 0.00 60.65 59.05 1s62 s ILE 79 Cb -0.26 -4.13 -0.12 0.00 -1.58 0.00 0.00 42.46 36.37 1s62 s ILE 79 CO 0.05 -0.31 1.70 -2.84 -1.23 0.00 0.00 174.94 172.31 1s62 s PRO 80 N 2.89 4.12 0.06 2.79 0.02 -1.26 -4.74 135.00 138.89 1s62 s PRO 80 Ca 0.29 2.60 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 1s62 s PRO 80 Cb -0.14 -3.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.22 1s62 s PRO 80 CO 0.15 -0.73 1.95 1.63 -0.33 0.00 0.00 177.00 179.66 1s62 n LYS 81 N 3.72 2.87 -1.33 5.54 4.76 -1.26 -4.74 118.16 127.72 1s62 n LYS 81 Ca 0.15 1.05 -0.48 0.00 -2.87 0.00 0.00 58.31 56.16 1s62 n LYS 81 Cb 0.36 -3.00 -0.13 0.00 -1.84 0.00 0.00 35.03 30.42 1s62 n LYS 81 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1s62 n PRO 82 N 7.13 0.00 -0.08 1.97 -0.02 -1.26 -4.85 135.00 137.90 1s62 n PRO 82 Ca 0.20 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.54 1s62 n PRO 82 Cb 0.40 -1.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 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 10.17 0.00 -6.35 0.52 0.13 -1.96 -3.45 132.00 131.06 1s62 h PRO 83 Ca -0.07 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.51 1s62 h PRO 83 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1s62 h PRO 83 CO 1.20 0.78 0.65 -1.54 -0.23 0.00 0.00 178.00 178.86 1s62 s SER 84 N -6.27 7.08 0.39 1.44 1.04 -1.26 -4.92 113.70 111.21 1s62 s SER 84 Ca -0.19 1.83 0.13 0.00 0.48 0.00 0.00 55.95 58.21 1s62 s SER 84 Cb 0.00 -2.56 0.80 0.00 0.10 0.00 0.00 66.02 64.36 1s62 s SER 84 CO 0.53 -0.54 1.87 1.56 0.98 0.00 0.00 173.24 177.64 1s62 h GLN 85 N 7.28 0.00 -0.41 4.02 1.08 -1.99 0.87 115.11 125.96 1s62 h GLN 85 Ca -0.36 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.77 1s62 h GLN 85 Cb 1.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 1s62 h GLN 85 CO 0.86 0.32 -0.01 0.00 -0.95 0.00 0.00 178.83 179.05 1s62 h ALA 86 N 1.68 0.56 -0.64 3.87 0.00 -1.99 -0.02 119.26 122.72 1s62 h ALA 86 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1s62 h ALA 86 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1s62 h ALA 86 CO 0.04 0.35 0.30 0.28 0.00 0.00 0.00 179.25 180.22 1s62 h VAL 87 N 0.56 1.22 -0.52 0.00 2.07 -1.78 -2.18 116.25 115.61 1s62 h VAL 87 Ca 0.12 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1s62 h VAL 87 Cb 0.50 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1s62 h VAL 87 CO 0.02 0.26 0.32 0.22 0.02 0.00 0.00 177.57 178.41 1s62 h TYR 88 N 0.88 0.69 0.00 1.57 3.20 -0.54 0.25 116.97 123.02 1s62 h TYR 88 Ca 0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1s62 h TYR 88 Cb 0.13 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1s62 h TYR 88 CO 0.00 0.48 -0.07 1.05 -1.64 0.00 0.00 178.16 177.98 1s62 h GLU 89 N 0.70 0.00 0.00 1.82 4.11 -0.74 -2.73 114.58 117.75 1s62 h GLU 89 Ca 0.19 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.47 1s62 h GLU 89 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1s62 h GLU 89 CO -0.04 0.07 -1.12 0.28 0.07 0.00 0.00 179.01 178.28 1s62 n VAL 90 N -3.19 1.49 0.34 -1.06 0.31 -0.84 -4.44 118.33 110.93 1s62 n VAL 90 Ca 0.01 0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.49 1s62 n VAL 90 Cb 0.35 -2.19 0.53 0.00 -0.91 0.00 0.00 33.84 31.61 1s62 n VAL 90 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1s62 n PHE 91 N -4.48 0.84 0.72 3.52 3.72 0.85 -1.82 117.46 120.80 1s62 n PHE 91 Ca -0.23 0.35 0.08 0.00 -0.05 0.00 0.00 57.45 57.59 1s62 n PHE 91 Cb 0.53 -1.07 0.39 0.00 -0.94 0.00 0.00 39.48 38.39 1s62 n PHE 91 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1s62 n LYS 92 N -2.29 0.21 -2.72 -1.08 2.85 -1.03 -2.65 118.16 111.45 1s62 n LYS 92 Ca 0.01 0.15 -0.07 0.00 -1.05 0.00 0.00 58.31 57.35 1s62 n LYS 92 Cb 0.18 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.13 1s62 n LYS 92 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1s62 n ASN 93 N -1.30 -2.34 -3.61 -5.58 5.15 -0.76 -3.49 115.26 103.32 1s62 n ASN 93 Ca 0.07 -2.93 -0.29 0.00 -0.60 0.00 0.00 54.58 50.82 1s62 n ASN 93 Cb 0.13 1.56 -0.14 0.00 -0.53 0.00 0.00 39.78 40.79 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 0.45 1.12 -0.31 5.20 0.00 -1.13 -4.97 121.76 122.12 1s62 s ALA 94 Ca 0.28 -1.53 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 1s62 s ALA 94 Cb 0.24 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1s62 s ALA 94 CO -0.18 -1.75 1.53 -2.14 0.00 0.00 0.00 175.76 173.23 1s62 s PRO 95 N 1.65 3.67 0.26 0.00 0.02 -1.26 -4.36 135.00 134.97 1s62 s PRO 95 Ca 0.11 1.33 -0.13 0.00 0.02 0.00 0.00 61.00 62.34 1s62 s PRO 95 Cb -0.18 -4.03 -0.08 0.00 0.02 0.00 0.00 34.50 30.23 1s62 s PRO 95 CO -0.25 -1.45 0.63 -0.51 -0.33 0.00 0.00 177.00 175.10 1s62 s LEU 96 N 5.43 4.16 -0.13 -5.54 1.43 -0.63 -4.89 118.68 118.50 1s62 s LEU 96 Ca 0.67 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 54.64 1s62 s LEU 96 Cb -0.20 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1s62 s LEU 96 CO 0.30 -0.10 0.72 1.51 0.23 0.00 0.00 176.35 179.01 1s62 s ASP 97 N -2.22 6.90 -0.52 2.29 -4.77 -1.26 -2.27 116.67 114.82 1s62 s ASP 97 Ca 0.49 1.09 -0.17 0.00 -3.30 0.00 0.00 52.55 50.67 1s62 s ASP 97 Cb -0.12 -2.41 0.09 0.00 -1.09 0.00 0.00 42.92 39.40 1s62 s ASP 97 CO 0.19 -0.24 0.50 0.12 0.70 0.00 0.00 175.17 176.45 1s62 s PHE 98 N 1.47 3.19 -0.44 2.11 5.36 0.17 -4.96 117.98 124.87 1s62 s PHE 98 Ca 0.35 -1.00 -0.06 0.00 -0.96 0.00 0.00 56.93 55.26 1s62 s PHE 98 Cb -0.17 -3.54 0.11 0.00 -0.34 0.00 0.00 43.02 39.08 1s62 s PHE 98 CO 0.14 -0.97 0.28 0.15 -1.46 0.00 0.00 175.22 173.36 1s62 s LYS 99 N 1.90 2.25 0.31 10.12 -0.14 -1.26 -2.02 119.74 130.89 1s62 s LYS 99 Ca 0.06 -1.79 -0.29 0.00 -1.36 0.00 0.00 55.97 52.60 1s62 s LYS 99 Cb -0.26 -3.76 -0.13 0.00 -1.68 0.00 0.00 37.83 32.01 1s62 s LYS 99 CO 0.06 -1.13 1.22 -0.35 -0.76 0.00 0.00 175.35 174.39 1s62 n PRO 100 N 4.76 1.87 -0.67 -1.68 -0.04 -1.26 -4.94 135.00 133.03 1s62 n PRO 100 Ca -0.05 0.66 -0.31 0.00 -0.04 0.00 0.00 63.50 63.75 1s62 n PRO 100 Cb 0.41 -2.18 0.17 0.00 -0.04 0.00 0.00 33.50 31.86 1s62 n PRO 100 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s62 n HIS 101 N 0.52 0.47 -1.57 0.54 8.25 -0.68 -3.90 115.22 118.86 1s62 n HIS 101 Ca 0.07 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1s62 n HIS 101 Cb 0.34 -1.95 0.00 0.00 1.12 0.00 0.00 29.99 29.50 1s62 n HIS 101 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59