#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 -3.49 -2.60 0.00 0.00 -1.26 -5.09 120.64 108.19 1s62 n GLU 2 Ca 0.00 2.77 -0.06 0.00 0.00 0.00 0.00 57.16 59.87 1s62 n GLU 2 Cb 0.00 -4.74 -0.02 0.00 0.00 0.00 0.00 31.44 26.69 1s62 n GLU 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1s62 n PHE 3 N 0.98 -0.71 0.39 4.31 3.72 -1.26 -5.04 117.46 119.85 1s62 n PHE 3 Ca -0.16 -0.96 0.10 0.00 -0.05 0.00 0.00 57.45 56.38 1s62 n PHE 3 Cb 0.24 0.19 0.26 0.00 -0.94 0.00 0.00 39.48 39.24 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 -0.23 1.45 2.41 1.37 0.00 -1.26 -4.91 105.19 104.02 1s62 n GLY 4 Ca 0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 1s62 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s62 n ASN 5 N 1.10 -4.77 -2.36 1.61 5.15 -1.26 -4.88 115.26 109.85 1s62 n ASN 5 Ca 0.19 0.29 -0.20 0.00 -0.60 0.00 0.00 54.58 54.25 1s62 n ASN 5 Cb 0.48 -3.67 -0.12 0.00 -0.53 0.00 0.00 39.78 35.95 1s62 n ASN 5 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1s62 n THR 6 N -2.87 3.36 -2.36 -0.44 -1.04 -1.26 -4.66 114.28 105.02 1s62 n THR 6 Ca -0.16 -2.14 -0.40 0.00 -2.04 0.00 0.00 64.05 59.31 1s62 n THR 6 Cb 0.53 -1.99 0.02 0.00 -1.82 0.00 0.00 70.33 67.07 1s62 n THR 6 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1s62 n LYS 7 N 2.21 4.72 -3.97 -2.82 2.85 -1.26 -4.93 118.16 114.96 1s62 n LYS 7 Ca 0.50 -4.17 -0.12 0.00 -1.05 0.00 0.00 58.31 53.48 1s62 n LYS 7 Cb 0.71 -2.45 -0.13 0.00 -0.65 0.00 0.00 35.03 32.52 1s62 n LYS 7 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1s62 s ASN 8 N -0.93 0.27 -0.18 -5.58 -0.87 -1.26 -5.15 114.94 101.24 1s62 s ASN 8 Ca 0.45 -0.26 -0.27 0.00 -1.57 0.00 0.00 52.86 51.21 1s62 s ASN 8 Cb 0.24 0.03 0.07 0.00 -0.02 0.00 0.00 41.25 41.57 1s62 s ASN 8 CO -0.18 -0.13 0.69 0.21 -2.57 0.00 0.00 177.10 175.12 1s62 s ASN 9 N -0.74 -0.69 0.00 -1.22 3.84 -1.26 -5.15 114.94 109.72 1s62 s ASN 9 Ca -0.07 1.12 0.00 0.00 0.21 0.00 0.00 52.86 54.12 1s62 s ASN 9 Cb -0.05 1.06 0.00 0.00 -0.55 0.00 0.00 41.25 41.71 1s62 s ASN 9 CO -0.00 -0.39 0.00 0.61 -2.79 0.00 0.00 177.10 174.52 1s62 n GLY 10 N 1.97 -2.89 0.20 1.21 0.00 -1.26 -4.82 105.19 99.60 1s62 n GLY 10 Ca -0.16 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 11 N 0.14 1.58 -1.84 4.61 0.00 -1.26 -4.91 120.51 118.83 1s62 n ALA 11 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 53.44 52.21 1s62 n ALA 11 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 1s62 n ALA 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s62 s SER 12 N -6.38 7.23 0.00 0.00 0.01 -1.26 -3.68 113.70 109.62 1s62 s SER 12 Ca -0.29 1.75 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1s62 s SER 12 Cb 0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1s62 s SER 12 CO 0.43 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1s62 n GLY 13 N 0.37 2.37 0.23 3.44 0.00 -1.26 -4.89 105.19 105.45 1s62 n GLY 13 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 1.05 -0.21 4.61 0.00 -1.91 -0.36 119.26 122.44 1s62 h ALA 14 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1s62 h ALA 14 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1s62 h ALA 14 CO 0.00 0.24 -0.00 -0.44 0.00 0.00 0.00 179.25 179.05 1s62 h ASP 15 N 0.00 0.37 -0.52 0.00 5.19 -1.90 0.39 116.42 119.95 1s62 h ASP 15 Ca -0.00 -0.31 -0.04 0.00 -0.62 0.00 0.00 57.03 56.05 1s62 h ASP 15 Cb 0.67 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 1s62 h ASP 15 CO 0.03 0.59 0.16 0.40 -3.12 0.00 0.00 179.24 177.30 1s62 h ILE 16 N 0.14 1.23 -0.31 0.35 2.04 -1.83 0.16 117.51 119.29 1s62 h ILE 16 Ca 0.06 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1s62 h ILE 16 Cb 0.41 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1s62 h ILE 16 CO 0.01 0.29 0.18 0.78 0.00 0.00 0.00 178.15 179.41 1s62 h ASN 17 N 0.71 0.37 -0.02 1.72 2.35 -0.92 0.21 115.58 120.00 1s62 h ASN 17 Ca 0.17 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1s62 h ASN 17 Cb 0.28 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1s62 h ASN 17 CO -0.01 0.29 -0.20 -1.13 -1.65 0.00 0.00 177.43 174.73 1s62 h ASN 18 N 0.43 0.21 -0.28 5.81 -0.73 -0.32 -0.82 115.58 119.88 1s62 h ASN 18 Ca 0.11 -0.72 -0.12 0.00 1.87 0.00 0.00 56.30 57.44 1s62 h ASN 18 Cb -0.00 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1s62 h ASN 18 CO -0.02 0.90 -0.27 1.88 -0.37 0.00 0.00 177.43 179.55 1s62 h TYR 19 N -0.47 0.90 0.00 0.67 0.05 -0.62 -0.21 116.97 117.29 1s62 h TYR 19 Ca -0.02 -0.22 -0.08 0.00 0.05 0.00 0.00 58.73 58.46 1s62 h TYR 19 Cb 0.92 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1s62 h TYR 19 CO 0.16 0.96 -0.36 0.00 -1.05 0.00 0.00 178.16 177.88 1s62 h ALA 20 N 1.03 1.13 0.00 3.88 0.00 -0.70 -1.92 119.26 122.68 1s62 h ALA 20 Ca 0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1s62 h ALA 20 Cb 0.79 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1s62 h ALA 20 CO 0.07 0.45 -0.30 0.78 0.00 0.00 0.00 179.25 180.24 1s62 h GLY 21 N 1.63 0.00 1.69 0.00 0.00 0.14 -0.90 103.07 105.63 1s62 h GLY 21 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1s62 h GLY 21 CO 0.05 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 178.03 1s62 h GLN 22 N 0.00 0.40 0.07 4.80 1.08 -0.25 0.36 115.11 121.57 1s62 h GLN 22 Ca -0.00 -0.07 -0.23 0.00 -1.45 0.00 0.00 58.65 56.90 1s62 h GLN 22 Cb 0.62 -0.06 0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1s62 h GLN 22 CO 0.04 0.44 -0.92 0.82 -0.95 0.00 0.00 178.83 178.25 1s62 h ILE 23 N 0.38 1.37 0.31 2.54 1.08 -1.38 -2.97 117.51 118.85 1s62 h ILE 23 Ca 0.09 -2.31 -0.01 0.00 -0.39 0.00 0.00 64.86 62.23 1s62 h ILE 23 Cb 0.28 2.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 1s62 h ILE 23 CO 0.01 0.69 -0.20 0.11 -0.69 0.00 0.00 178.15 178.07 1s62 h LYS 24 N 0.05 -0.48 -0.33 2.37 1.57 -0.54 -1.04 116.57 118.17 1s62 h LYS 24 Ca -0.13 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1s62 h LYS 24 Cb 1.63 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 1s62 h LYS 24 CO 0.18 -0.32 0.22 0.77 -0.57 0.00 0.00 179.45 179.73 1s62 h SER 25 N -0.50 0.35 0.01 0.86 0.02 -0.42 0.71 113.55 114.60 1s62 h SER 25 Ca -0.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1s62 h SER 25 Cb 0.42 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1s62 h SER 25 CO 0.03 0.25 -0.01 0.00 -1.14 0.00 0.00 176.83 175.97 1s62 h ALA 26 N 1.80 -0.01 -0.13 3.77 0.00 -1.29 -2.39 119.26 121.01 1s62 h ALA 26 Ca 0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1s62 h ALA 26 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s62 h ALA 26 CO -0.03 -0.43 -0.37 0.82 0.00 0.00 0.00 179.25 179.25 1s62 h ILE 27 N -0.18 1.29 0.00 0.00 2.04 -0.26 -2.50 117.51 117.91 1s62 h ILE 27 Ca -0.00 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 1s62 h ILE 27 Cb 0.17 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1s62 h ILE 27 CO 0.00 0.43 -0.02 -0.33 0.00 0.00 0.00 178.15 178.23 1s62 h GLU 28 N 0.23 0.00 -0.49 2.37 5.08 0.64 0.26 114.58 122.67 1s62 h GLU 28 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1s62 h GLU 28 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1s62 h GLU 28 CO 0.06 0.02 0.00 0.43 -1.00 0.00 0.00 179.01 178.52 1s62 n SER 29 N -3.16 4.13 -1.77 1.42 7.64 -0.92 -4.22 113.62 116.74 1s62 n SER 29 Ca -0.01 -2.48 -0.01 0.00 1.01 0.00 0.00 58.87 57.38 1s62 n SER 29 Cb 0.21 -0.49 0.01 0.00 -1.01 0.00 0.00 64.21 62.93 1s62 n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s62 n LYS 30 N 0.59 0.52 0.17 1.43 4.01 -0.25 -4.96 118.16 119.67 1s62 n LYS 30 Ca 0.21 -1.86 0.01 0.00 -0.51 0.00 0.00 58.31 56.16 1s62 n LYS 30 Cb 0.78 -0.08 0.28 0.00 -0.51 0.00 0.00 35.03 35.50 1s62 n LYS 30 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1s62 h PHE 31 N 1.00 0.00 0.00 2.13 -0.00 -1.19 -3.40 116.94 115.47 1s62 h PHE 31 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.62 1s62 h PHE 31 Cb 1.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.50 1s62 h PHE 31 CO 0.09 0.48 0.00 0.66 -0.00 0.00 0.00 178.31 179.54 1s62 n TYR 32 N -3.88 0.00 -2.13 6.09 4.01 -1.26 0.00 117.16 119.99 1s62 n TYR 32 Ca -0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 1s62 n TYR 32 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 1s62 n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1s62 n ASP 33 N 2.44 0.01 0.12 7.72 2.03 -1.26 -4.90 116.55 122.72 1s62 n ASP 33 Ca 0.00 -1.75 -0.02 0.00 0.52 0.00 0.00 54.79 53.54 1s62 n ASP 33 Cb 0.00 -0.05 0.12 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.25 0.86 0.00 -1.67 0.00 -0.79 0.25 119.26 118.17 1s62 h ALA 34 Ca -0.20 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1s62 h ALA 34 Cb 1.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1s62 h ALA 34 CO -0.05 0.85 0.00 0.77 0.00 0.00 0.00 179.25 180.82 1s62 h SER 35 N 0.00 0.00 0.00 0.00 0.02 -1.84 0.10 113.55 111.84 1s62 h SER 35 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1s62 h SER 35 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s62 h SER 35 CO 0.09 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.58 1s62 n SER 36 N -2.73 0.00 0.00 3.07 7.64 -1.14 -3.30 113.62 117.16 1s62 n SER 36 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1s62 n SER 36 Cb 0.43 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1s62 n SER 36 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1s62 n TYR 37 N -2.10 0.00 0.00 1.43 4.01 0.06 -4.73 117.16 115.84 1s62 n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1s62 n TYR 37 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s62 n ALA 38 N 6.68 0.00 -2.32 -0.72 0.00 -1.26 -5.06 120.51 117.84 1s62 n ALA 38 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1s62 n ALA 38 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 3.62 3.97 0.00 0.00 -1.26 -4.68 105.19 106.84 1s62 n GLY 39 Ca 0.00 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.93 1.50 -0.24 1.61 3.01 -1.26 -4.53 119.74 116.90 1s62 s LYS 40 Ca 0.37 -0.86 -0.05 0.00 -1.01 0.00 0.00 55.97 54.42 1s62 s LYS 40 Cb 0.37 -2.21 0.12 0.00 -1.01 0.00 0.00 37.83 35.10 1s62 s LYS 40 CO -0.05 -1.64 0.46 0.99 0.51 0.00 0.00 175.35 175.63 1s62 s THR 41 N -3.32 -0.73 0.49 2.17 2.01 -1.26 -4.08 115.64 110.93 1s62 s THR 41 Ca 0.67 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1s62 s THR 41 Cb -0.06 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1s62 s THR 41 CO 0.46 -0.00 0.02 0.00 -0.69 0.00 0.00 174.62 174.41 1s62 s THR 43 N -2.91 -0.40 -0.37 0.00 2.01 -0.70 -0.81 115.64 112.45 1s62 s THR 43 Ca 0.09 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 1s62 s THR 43 Cb 0.02 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1s62 s THR 43 CO 0.05 0.09 0.50 -0.76 -0.69 0.00 0.00 174.62 173.81 1s62 s LEU 44 N 2.23 4.46 -1.01 4.42 1.43 -0.82 0.03 118.68 129.41 1s62 s LEU 44 Ca -0.02 -0.19 -0.23 0.00 -1.03 0.00 0.00 54.13 52.66 1s62 s LEU 44 Cb -0.11 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.59 1s62 s LEU 44 CO -0.10 -0.52 1.55 -0.60 0.23 0.00 0.00 176.35 176.91 1s62 s ARG 45 N 2.38 3.42 -0.13 1.70 3.00 -0.58 -2.56 118.95 126.18 1s62 s ARG 45 Ca 0.18 -1.02 -0.06 0.00 -1.00 0.00 0.00 55.73 53.82 1s62 s ARG 45 Cb -0.16 -5.32 -0.04 0.00 0.00 0.00 0.00 34.95 29.44 1s62 s ARG 45 CO 0.14 -2.43 0.09 0.96 0.00 0.00 0.00 175.30 174.06 1s62 s ILE 46 N 5.88 5.07 -0.39 4.11 -4.36 -1.26 -2.41 121.20 127.83 1s62 s ILE 46 Ca 0.51 0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.93 1s62 s ILE 46 Cb -0.01 -3.22 0.11 0.00 1.25 0.00 0.00 42.46 40.59 1s62 s ILE 46 CO -0.07 0.56 0.17 -0.54 0.24 0.00 0.00 174.94 175.30 1s62 s LYS 47 N -0.53 1.89 -0.13 0.37 -0.14 0.79 -3.63 119.74 118.37 1s62 s LYS 47 Ca 0.11 -1.83 -0.24 0.00 -1.36 0.00 0.00 55.97 52.66 1s62 s LYS 47 Cb -0.12 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 1s62 s LYS 47 CO 0.02 -1.04 0.73 -1.17 -0.76 0.00 0.00 175.35 173.13 1s62 s LEU 48 N 1.09 4.23 0.83 3.17 2.96 -1.24 -1.19 118.68 128.53 1s62 s LEU 48 Ca 0.09 1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.99 1s62 s LEU 48 Cb -0.22 -3.10 0.09 0.00 0.50 0.00 0.00 46.19 43.46 1s62 s LEU 48 CO -0.05 -0.25 1.13 0.00 -1.32 0.00 0.00 176.35 175.86 1s62 s ALA 49 N 1.50 2.28 0.34 5.97 0.00 0.11 -4.42 121.76 127.54 1s62 s ALA 49 Ca 0.36 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1s62 s ALA 49 Cb -0.17 -3.03 0.82 0.00 0.00 0.00 0.00 23.12 20.74 1s62 s ALA 49 CO 0.15 -1.82 1.83 -1.00 0.00 0.00 0.00 175.76 174.92 1s62 h PRO 50 N -1.16 0.67 0.00 0.00 0.13 -1.94 0.30 132.00 130.01 1s62 h PRO 50 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1s62 h PRO 50 Cb 1.30 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1s62 h PRO 50 CO 0.62 0.44 0.00 -3.47 -0.23 0.00 0.00 178.00 175.37 1s62 n ASP 51 N -4.62 0.11 0.00 1.44 2.03 -1.26 -4.38 116.55 109.87 1s62 n ASP 51 Ca 0.20 0.52 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1s62 n ASP 51 Cb 0.55 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.59 0.94 3.90 0.27 0.00 0.10 -3.86 105.19 107.13 1s62 n GLY 52 Ca 0.05 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.78 3.49 -0.46 1.61 0.23 -1.25 -4.72 119.30 117.42 1s62 s MET 53 Ca 0.00 -0.25 -0.29 0.00 -1.03 0.00 0.00 55.69 54.12 1s62 s MET 53 Cb 0.00 -3.06 0.02 0.00 -1.53 0.00 0.00 34.83 30.26 1s62 s MET 53 CO 0.00 0.64 1.28 -0.51 -2.03 0.00 0.00 175.02 174.40 1s62 s LEU 54 N -2.05 3.59 0.30 0.18 1.02 -1.26 0.09 118.68 120.55 1s62 s LEU 54 Ca 0.30 0.60 0.21 0.00 0.02 0.00 0.00 54.13 55.26 1s62 s LEU 54 Cb -0.13 -3.50 0.13 0.00 0.02 0.00 0.00 46.19 42.71 1s62 s LEU 54 CO 0.20 -1.38 1.31 0.17 0.02 0.00 0.00 176.35 176.67 1s62 h LEU 55 N 11.82 0.00 -7.34 1.79 8.10 -1.50 -3.45 115.31 124.73 1s62 h LEU 55 Ca -0.25 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.59 1s62 h LEU 55 Cb 1.08 0.00 -0.26 0.00 -0.44 0.00 0.00 40.66 41.04 1s62 h LEU 55 CO 1.11 0.12 -0.35 -0.62 -4.11 0.00 0.00 178.44 174.60 1s62 s ASP 56 N -5.89 -0.37 -0.25 0.17 2.15 -1.15 -5.01 116.67 106.31 1s62 s ASP 56 Ca 0.03 0.70 -0.04 0.00 0.43 0.00 0.00 52.55 53.67 1s62 s ASP 56 Cb 0.07 0.65 0.13 0.00 -0.30 0.00 0.00 42.92 43.48 1s62 s ASP 56 CO 0.74 -0.15 0.45 -0.51 -0.17 0.00 0.00 175.17 175.53 1s62 s ILE 57 N 0.69 -0.72 -0.17 4.11 2.07 -1.26 -0.15 121.20 125.77 1s62 s ILE 57 Ca -0.04 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.10 1s62 s ILE 57 Cb -0.05 -0.83 0.05 0.00 0.13 0.00 0.00 42.46 41.76 1s62 s ILE 57 CO -0.05 -0.04 0.42 -0.75 -1.91 0.00 0.00 174.94 172.62 1s62 s LYS 58 N 2.65 0.43 0.05 3.50 2.20 -1.01 -5.02 119.74 122.54 1s62 s LYS 58 Ca 0.09 0.75 -0.34 0.00 -0.36 0.00 0.00 55.97 56.12 1s62 s LYS 58 Cb -0.14 0.05 -0.13 0.00 -1.51 0.00 0.00 37.83 36.10 1s62 s LYS 58 CO -0.16 -0.13 1.72 -2.30 -0.36 0.00 0.00 175.35 174.12 1s62 n PRO 59 N 3.90 2.19 -0.03 4.03 -0.02 -1.26 -1.52 135.00 142.29 1s62 n PRO 59 Ca -0.21 0.80 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1s62 n PRO 59 Cb 0.56 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 1s62 n PRO 59 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1s62 h GLU 60 N 7.50 -0.06 -1.33 -0.52 4.57 -0.73 -3.45 114.58 120.56 1s62 h GLU 60 Ca -0.47 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 57.90 1s62 h GLU 60 Cb 1.26 0.01 -0.24 0.00 -0.16 0.00 0.00 28.75 29.62 1s62 h GLU 60 CO 0.92 0.52 0.77 0.20 -1.18 0.00 0.00 179.01 180.24 1s62 s GLY 61 N -3.73 -0.11 0.00 1.92 0.00 -1.23 -5.02 107.32 99.15 1s62 s GLY 61 Ca -0.13 2.31 0.00 0.00 0.00 0.00 0.00 44.72 46.91 1s62 s GLY 61 CO 0.47 0.98 0.00 0.61 0.00 0.00 0.00 173.10 175.16 1s62 n GLY 62 N 0.49 -0.16 2.83 0.20 0.00 -1.26 -1.72 105.19 105.57 1s62 n GLY 62 Ca -0.04 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.00 0.05 0.26 1.61 -1.08 -1.26 -4.92 116.67 107.33 1s62 s ASP 63 Ca 0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 52.55 52.15 1s62 s ASP 63 Cb 0.00 0.03 0.43 0.00 -1.46 0.00 0.00 42.92 41.92 1s62 s ASP 63 CO 0.00 -0.14 1.86 1.55 0.52 0.00 0.00 175.17 178.95 1s62 h PRO 64 N 7.34 1.02 -0.10 4.34 0.13 -1.98 0.97 132.00 143.72 1s62 h PRO 64 Ca -0.43 -0.06 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 1s62 h PRO 64 Cb 1.13 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 32.04 1s62 h PRO 64 CO 0.44 0.67 -0.83 0.00 -0.23 0.00 0.00 178.00 178.06 1s62 h ALA 65 N 1.47 0.36 0.01 -0.56 0.00 -1.99 -1.72 119.26 116.83 1s62 h ALA 65 Ca 0.43 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1s62 h ALA 65 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s62 h ALA 65 CO -0.21 0.72 -0.01 1.25 0.00 0.00 0.00 179.25 181.00 1s62 h LEU 66 N 0.42 -0.02 -1.48 0.00 7.12 -1.88 -2.72 115.31 116.76 1s62 h LEU 66 Ca -0.06 -0.32 -0.02 0.00 0.13 0.00 0.00 57.88 57.61 1s62 h LEU 66 Cb 1.45 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.58 1s62 h LEU 66 CO 0.16 0.31 -0.09 0.00 -0.13 0.00 0.00 178.44 178.69 1s62 h GLN 68 N 0.00 -0.04 -0.11 0.00 4.15 -1.18 -2.34 115.11 115.58 1s62 h GLN 68 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1s62 h GLN 68 Cb 0.54 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1s62 h GLN 68 CO 0.01 0.34 -0.14 0.00 -1.93 0.00 0.00 178.83 177.10 1s62 h ALA 69 N 0.51 1.56 -0.49 3.38 0.00 -1.28 -2.43 119.26 120.51 1s62 h ALA 69 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1s62 h ALA 69 Cb 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1s62 h ALA 69 CO 0.01 0.32 0.22 0.00 0.00 0.00 0.00 179.25 179.80 1s62 h ALA 70 N 1.69 0.62 -0.73 0.00 0.00 -1.02 0.11 119.26 119.94 1s62 h ALA 70 Ca 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1s62 h ALA 70 Cb 0.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1s62 h ALA 70 CO 0.02 -0.15 0.33 -0.07 0.00 0.00 0.00 179.25 179.38 1s62 h LEU 71 N 0.43 0.97 -0.29 0.00 3.38 -0.92 -0.02 115.31 118.87 1s62 h LEU 71 Ca 0.23 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1s62 h LEU 71 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1s62 h LEU 71 CO -0.19 0.85 -0.05 0.00 0.09 0.00 0.00 178.44 179.14 1s62 h ALA 72 N 1.16 0.39 -0.49 1.53 0.00 -1.26 -1.83 119.26 118.76 1s62 h ALA 72 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1s62 h ALA 72 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1s62 h ALA 72 CO -0.03 0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.51 1s62 h ALA 73 N 0.80 0.65 0.00 0.00 0.00 -0.63 -1.70 119.26 118.38 1s62 h ALA 73 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1s62 h ALA 73 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1s62 h ALA 73 CO 0.02 0.36 -0.14 0.00 0.00 0.00 0.00 179.25 179.49 1s62 h ALA 74 N 0.98 1.23 0.00 0.00 0.00 -0.97 -0.87 119.26 119.63 1s62 h ALA 74 Ca 0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1s62 h ALA 74 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1s62 h ALA 74 CO 0.01 0.17 -0.79 0.87 0.00 0.00 0.00 179.25 179.51 1s62 h LYS 75 N 0.00 0.00 0.00 0.00 1.57 -0.76 -3.23 116.57 114.14 1s62 h LYS 75 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1s62 h LYS 75 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s62 h LYS 75 CO 0.02 0.79 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.90 1s62 h LEU 76 N 0.00 0.00 -9.96 2.94 4.07 -0.42 -3.46 115.31 108.48 1s62 h LEU 76 Ca -0.01 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.40 1s62 h LEU 76 Cb 1.53 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.24 1s62 h LEU 76 CO 0.10 0.01 -0.19 0.00 -1.08 0.00 0.00 178.44 177.29 1s62 s ALA 77 N -3.31 3.65 -0.13 1.53 0.00 -0.42 -4.97 121.76 118.11 1s62 s ALA 77 Ca 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1s62 s ALA 77 Cb 0.08 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1s62 s ALA 77 CO 0.75 0.57 0.02 -1.59 0.00 0.00 0.00 175.76 175.52 1s62 s LYS 78 N -2.72 3.43 -0.14 0.00 -2.85 -1.26 -4.90 119.74 111.29 1s62 s LYS 78 Ca 0.45 -0.38 -0.03 0.00 -1.00 0.00 0.00 55.97 55.01 1s62 s LYS 78 Cb -0.12 -2.97 -0.03 0.00 -2.06 0.00 0.00 37.83 32.66 1s62 s LYS 78 CO 0.22 0.51 -0.06 0.42 0.10 0.00 0.00 175.35 176.55 1s62 s ILE 79 N -0.33 3.72 0.61 3.79 1.09 -1.26 -4.94 121.20 123.89 1s62 s ILE 79 Ca 0.07 -0.42 -0.07 0.00 -1.10 0.00 0.00 60.65 59.13 1s62 s ILE 79 Cb -0.12 -2.61 0.01 0.00 -1.06 0.00 0.00 42.46 38.68 1s62 s ILE 79 CO 0.02 0.51 0.95 -2.16 -0.10 0.00 0.00 174.94 174.15 1s62 s PRO 80 N 0.25 2.94 0.03 2.79 0.04 -1.26 -4.83 135.00 134.96 1s62 s PRO 80 Ca -0.04 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.82 1s62 s PRO 80 Cb -0.14 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1s62 s PRO 80 CO 0.03 -0.76 1.37 0.21 0.04 0.00 0.00 177.00 177.89 1s62 s LYS 81 N -5.08 4.31 -0.15 4.56 2.20 -1.25 -4.61 119.74 119.73 1s62 s LYS 81 Ca 0.55 1.96 -0.34 0.00 -0.36 0.00 0.00 55.97 57.77 1s62 s LYS 81 Cb -0.11 -3.47 -0.11 0.00 -1.51 0.00 0.00 37.83 32.63 1s62 s LYS 81 CO 0.47 -0.50 1.95 -2.30 -0.36 0.00 0.00 175.35 174.61 1s62 n PRO 82 N 4.86 1.96 0.18 4.03 -0.02 -1.26 -4.91 135.00 139.84 1s62 n PRO 82 Ca 0.12 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 1s62 n PRO 82 Cb 0.44 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 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 10.13 -0.50 -6.45 0.52 0.13 -1.97 -3.45 132.00 130.41 1s62 h PRO 83 Ca -0.45 0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 1s62 h PRO 83 Cb 1.28 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1s62 h PRO 83 CO 0.96 -0.33 0.16 -1.54 -0.23 0.00 0.00 178.00 177.02 1s62 s SER 84 N -4.30 7.33 0.48 1.44 1.04 -1.26 -4.96 113.70 113.47 1s62 s SER 84 Ca -0.08 1.57 0.14 0.00 0.48 0.00 0.00 55.95 58.06 1s62 s SER 84 Cb 0.01 -2.48 1.12 0.00 0.10 0.00 0.00 66.02 64.76 1s62 s SER 84 CO 0.23 0.17 2.09 0.06 0.98 0.00 0.00 173.24 176.77 1s62 h GLN 85 N 4.63 0.10 0.28 4.02 -0.00 -1.98 0.18 115.11 122.34 1s62 h GLN 85 Ca -0.47 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.16 1s62 h GLN 85 Cb 1.21 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1s62 h GLN 85 CO 0.67 0.12 -0.13 0.00 -0.00 0.00 0.00 178.83 179.48 1s62 h ALA 86 N 1.90 -0.38 -0.24 0.06 0.00 -1.99 -0.54 119.26 118.08 1s62 h ALA 86 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1s62 h ALA 86 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s62 h ALA 86 CO 0.00 -0.71 -0.38 0.28 0.00 0.00 0.00 179.25 178.44 1s62 h VAL 87 N -0.38 1.30 -0.69 0.00 2.07 -1.85 -2.10 116.25 114.60 1s62 h VAL 87 Ca -0.04 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.03 1s62 h VAL 87 Cb 0.29 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1s62 h VAL 87 CO 0.06 0.48 0.38 0.22 0.02 0.00 0.00 177.57 178.73 1s62 h TYR 88 N 0.45 0.69 -0.01 1.57 3.20 -0.37 0.32 116.97 122.83 1s62 h TYR 88 Ca 0.04 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.73 1s62 h TYR 88 Cb 0.86 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1s62 h TYR 88 CO 0.03 0.32 -0.90 0.93 -1.64 0.00 0.00 178.16 176.90 1s62 h GLU 89 N 0.69 0.36 -0.47 1.82 5.08 -0.99 -3.22 114.58 117.85 1s62 h GLU 89 Ca 0.31 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1s62 h GLU 89 Cb 0.22 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1s62 h GLU 89 CO -0.20 1.05 0.09 0.28 -1.00 0.00 0.00 179.01 179.24 1s62 h VAL 90 N 0.21 1.24 -0.22 3.13 2.07 -0.73 -2.72 116.25 119.24 1s62 h VAL 90 Ca -0.06 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 1s62 h VAL 90 Cb 1.52 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1s62 h VAL 90 CO 0.15 0.31 0.11 0.49 0.02 0.00 0.00 177.57 178.66 1s62 n PHE 91 N -4.45 0.59 -0.04 1.57 3.72 0.11 -3.59 117.46 115.36 1s62 n PHE 91 Ca 0.01 -1.43 0.02 0.00 -0.05 0.00 0.00 57.45 56.01 1s62 n PHE 91 Cb 0.24 -0.83 -0.15 0.00 -0.94 0.00 0.00 39.48 37.80 1s62 n PHE 91 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1s62 n LYS 92 N 1.22 0.76 -2.75 -1.08 3.00 -1.02 -4.04 118.16 114.23 1s62 n LYS 92 Ca 0.18 -0.11 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 1s62 n LYS 92 Cb 0.58 -1.47 0.08 0.00 0.00 0.00 0.00 35.03 34.22 1s62 n LYS 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1s62 n ASN 93 N -2.39 -2.18 -3.99 3.14 5.15 -1.24 -3.63 115.26 110.13 1s62 n ASN 93 Ca -0.14 -3.66 -0.31 0.00 -0.60 0.00 0.00 54.58 49.87 1s62 n ASN 93 Cb 0.75 1.80 -0.15 0.00 -0.53 0.00 0.00 39.78 41.65 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 0.13 3.06 0.24 5.20 0.00 -1.24 -5.01 121.76 124.14 1s62 s ALA 94 Ca 0.23 -2.84 -0.30 0.00 0.00 0.00 0.00 51.96 49.05 1s62 s ALA 94 Cb 0.29 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1s62 s ALA 94 CO -0.05 -1.83 1.16 -2.14 0.00 0.00 0.00 175.76 172.90 1s62 s PRO 95 N 0.40 4.55 0.21 0.00 0.02 -1.26 -4.64 135.00 134.28 1s62 s PRO 95 Ca 0.14 1.87 -0.03 0.00 0.02 0.00 0.00 61.00 63.00 1s62 s PRO 95 Cb -0.22 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 1s62 s PRO 95 CO -0.05 0.04 0.43 -0.51 -0.33 0.00 0.00 177.00 176.58 1s62 s LEU 96 N -0.92 4.19 0.12 -5.54 1.43 -1.06 -4.91 118.68 111.99 1s62 s LEU 96 Ca 0.49 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 1s62 s LEU 96 Cb -0.33 -3.29 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1s62 s LEU 96 CO 0.40 -0.06 1.11 -0.62 0.23 0.00 0.00 176.35 177.41 1s62 s ASP 97 N -3.02 7.23 -0.28 2.29 -1.08 -1.26 -1.94 116.67 118.61 1s62 s ASP 97 Ca 0.40 2.01 -0.01 0.00 -0.52 0.00 0.00 52.55 54.44 1s62 s ASP 97 Cb -0.11 -2.59 0.09 0.00 -1.46 0.00 0.00 42.92 38.84 1s62 s ASP 97 CO 0.28 -0.29 0.07 0.12 0.52 0.00 0.00 175.17 175.87 1s62 s PHE 98 N 0.27 1.64 0.16 -5.34 2.19 0.01 -4.92 117.98 112.00 1s62 s PHE 98 Ca 0.52 -1.56 -0.01 0.00 0.33 0.00 0.00 56.93 56.21 1s62 s PHE 98 Cb -0.28 -1.57 -0.04 0.00 -1.31 0.00 0.00 43.02 39.82 1s62 s PHE 98 CO 0.32 -0.81 0.09 -1.59 1.83 0.00 0.00 175.22 175.06 1s62 s LYS 99 N 1.64 1.06 -0.55 10.12 -2.85 -1.26 0.27 119.74 128.16 1s62 s LYS 99 Ca 0.06 -1.53 -0.37 0.00 -1.00 0.00 0.00 55.97 53.13 1s62 s LYS 99 Cb -0.17 0.25 -0.16 0.00 -2.06 0.00 0.00 37.83 35.69 1s62 s LYS 99 CO -0.20 -0.32 2.30 -0.35 0.10 0.00 0.00 175.35 176.88 1s62 n PRO 100 N -0.18 0.46 -1.85 1.78 -0.04 -1.25 -4.71 135.00 129.21 1s62 n PRO 100 Ca -0.02 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1s62 n PRO 100 Cb 0.65 -1.99 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 1s62 n PRO 100 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1s62 s HIS 101 N 7.62 2.98 0.00 0.54 3.76 0.36 -4.89 115.29 125.65 1s62 s HIS 101 Ca 1.18 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 1s62 s HIS 101 Cb -1.12 -4.01 0.00 0.00 1.11 0.00 0.00 32.58 28.56 1s62 s HIS 101 CO 0.53 -3.74 0.00 1.58 -0.85 0.00 0.00 174.74 172.26