#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 1.96 0.00 0.00 4.71 -1.26 -4.26 120.64 121.80 1s62 n GLU 2 Ca 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 1s62 n GLU 2 Cb 0.00 -3.24 0.00 0.00 -1.01 0.00 0.00 31.44 27.19 1s62 n GLU 2 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1s62 n PHE 3 N 11.69 0.00 0.00 -0.32 3.72 -1.26 -4.90 117.46 126.39 1s62 n PHE 3 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 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 0.74 2.73 1.37 0.00 -1.26 -4.61 105.19 104.17 1s62 n GLY 4 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 3.62 -2.17 1.61 2.85 -1.26 -4.98 115.26 114.94 1s62 n ASN 5 Ca 0.00 -3.31 0.00 0.00 -0.11 0.00 0.00 54.58 51.16 1s62 n ASN 5 Cb 0.00 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 40.24 1s62 n ASN 5 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1s62 n THR 6 N 1.50-12.68 0.22 -0.44 -1.04 -1.26 -4.79 114.28 95.78 1s62 n THR 6 Ca 0.25 3.01 0.04 0.00 -2.04 0.00 0.00 64.05 65.31 1s62 n THR 6 Cb 0.38 -5.73 0.20 0.00 -1.82 0.00 0.00 70.33 63.35 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 1.72 2.73 -4.78 -2.82 4.81 -1.26 -4.07 118.16 114.49 1s62 n LYS 7 Ca 0.00 -1.60 -0.33 0.00 -0.87 0.00 0.00 58.31 55.51 1s62 n LYS 7 Cb 0.00 -1.73 -0.13 0.00 0.02 0.00 0.00 35.03 33.19 1s62 n LYS 7 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1s62 s ASN 8 N -0.59 4.15 -1.05 3.14 2.47 -1.26 -4.54 114.94 117.26 1s62 s ASN 8 Ca 0.28 -0.23 -0.04 0.00 0.42 0.00 0.00 52.86 53.29 1s62 s ASN 8 Cb 0.20 -1.28 0.00 0.00 -1.45 0.00 0.00 41.25 38.72 1s62 s ASN 8 CO 0.11 0.26 0.90 -3.20 -3.72 0.00 0.00 177.10 171.45 1s62 n ASN 9 N 2.92 -3.97 0.00 -4.21 5.15 -1.26 -4.75 115.26 109.14 1s62 n ASN 9 Ca -0.18 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 1s62 n ASN 9 Cb 0.53 -4.22 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 1s62 n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s62 n GLY 10 N -1.45 0.45 0.00 8.20 0.00 -1.26 -5.12 105.19 106.01 1s62 n GLY 10 Ca -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.00 0.00 -2.56 4.61 0.00 -1.26 -4.35 120.51 115.96 1s62 n ALA 11 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1s62 n ALA 11 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1s62 n ALA 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s62 s SER 12 N 2.00 6.55 -0.17 0.00 1.04 -1.26 -4.86 113.70 117.00 1s62 s SER 12 Ca 0.00 -1.67 -0.05 0.00 0.48 0.00 0.00 55.95 54.71 1s62 s SER 12 Cb 0.00 -2.57 -0.19 0.00 0.10 0.00 0.00 66.02 63.36 1s62 s SER 12 CO 0.00 -1.45 2.83 0.61 0.98 0.00 0.00 173.24 176.21 1s62 n GLY 13 N 6.54 2.68 0.25 7.32 0.00 -1.26 -4.34 105.19 116.38 1s62 n GLY 13 Ca 0.37 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 3.99 1.28 0.22 4.61 0.00 -1.99 0.56 119.26 127.93 1s62 h ALA 14 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s62 h ALA 14 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1s62 h ALA 14 CO 0.48 0.19 -0.10 0.38 0.00 0.00 0.00 179.25 180.19 1s62 h ASP 15 N 0.00 -0.25 -0.41 0.00 3.04 -2.00 -2.76 116.42 114.05 1s62 h ASP 15 Ca -0.00 -0.16 0.03 0.00 -3.24 0.00 0.00 57.03 53.66 1s62 h ASP 15 Cb 0.40 0.06 -0.03 0.00 -1.04 0.00 0.00 39.33 38.72 1s62 h ASP 15 CO 0.02 0.27 0.20 0.40 -2.04 0.00 0.00 179.24 178.09 1s62 h ILE 16 N -1.02 0.97 -1.01 4.15 2.04 -1.87 0.74 117.51 121.52 1s62 h ILE 16 Ca -0.03 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1s62 h ILE 16 Cb 0.39 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1s62 h ILE 16 CO 0.05 0.07 0.67 -1.13 0.00 0.00 0.00 178.15 177.81 1s62 h ASN 17 N 0.41 1.14 -0.21 1.72 -0.73 -1.02 -0.86 115.58 116.03 1s62 h ASN 17 Ca 0.17 -0.03 -0.17 0.00 1.87 0.00 0.00 56.30 58.15 1s62 h ASN 17 Cb 0.08 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.40 1s62 h ASN 17 CO -0.12 0.82 -0.53 -1.13 -0.37 0.00 0.00 177.43 176.09 1s62 h ASN 18 N 1.34 0.84 -0.82 1.15 -1.24 -1.13 -2.85 115.58 112.87 1s62 h ASN 18 Ca 0.38 -0.57 -0.04 0.00 0.71 0.00 0.00 56.30 56.78 1s62 h ASN 18 Cb -0.12 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.65 1s62 h ASN 18 CO -0.09 1.25 0.36 1.88 -1.29 0.00 0.00 177.43 179.54 1s62 h TYR 19 N 0.46 1.23 -0.61 0.67 -1.99 -0.48 0.20 116.97 116.44 1s62 h TYR 19 Ca -0.01 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 1s62 h TYR 19 Cb 1.15 -0.37 -0.03 0.00 2.00 0.00 0.00 36.73 39.47 1s62 h TYR 19 CO 0.09 0.91 0.24 0.00 -0.00 0.00 0.00 178.16 179.39 1s62 h ALA 20 N 1.19 1.26 -0.10 3.88 0.00 -1.18 -2.34 119.26 121.98 1s62 h ALA 20 Ca 0.28 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1s62 h ALA 20 Cb 0.18 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s62 h ALA 20 CO -0.03 0.54 -0.86 0.78 0.00 0.00 0.00 179.25 179.68 1s62 h GLY 21 N 0.99 0.82 2.00 0.00 0.00 -1.15 -3.21 103.07 102.52 1s62 h GLY 21 Ca 0.21 -1.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.27 1s62 h GLY 21 CO -0.02 1.11 -0.09 0.06 0.00 0.00 0.00 176.54 177.60 1s62 h GLN 22 N 0.48 0.00 -0.76 4.80 -0.00 -0.31 -1.52 115.11 117.80 1s62 h GLN 22 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 1s62 h GLN 22 Cb 1.50 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.94 1s62 h GLN 22 CO 0.17 0.09 0.32 0.82 -0.00 0.00 0.00 178.83 180.23 1s62 h ILE 23 N 0.00 1.25 0.00 1.86 2.04 -1.43 -1.56 117.51 119.67 1s62 h ILE 23 Ca -0.00 -0.77 -0.13 0.00 1.00 0.00 0.00 64.86 64.96 1s62 h ILE 23 Cb 0.20 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1s62 h ILE 23 CO 0.01 0.32 -0.63 0.11 0.00 0.00 0.00 178.15 177.96 1s62 h LYS 24 N 1.10 0.00 -0.49 2.37 1.57 -1.40 -3.16 116.57 116.56 1s62 h LYS 24 Ca 0.26 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1s62 h LYS 24 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1s62 h LYS 24 CO -0.02 0.63 -0.18 0.77 -0.57 0.00 0.00 179.45 180.08 1s62 h SER 25 N 0.00 0.97 -0.28 0.86 0.02 -0.89 -2.77 113.55 111.47 1s62 h SER 25 Ca -0.01 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1s62 h SER 25 Cb 1.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1s62 h SER 25 CO 0.08 1.13 0.19 0.00 -1.14 0.00 0.00 176.83 177.09 1s62 h ALA 26 N 0.95 1.98 -0.10 3.77 0.00 -1.28 -2.25 119.26 122.33 1s62 h ALA 26 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1s62 h ALA 26 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1s62 h ALA 26 CO 0.06 -0.02 -0.26 0.82 0.00 0.00 0.00 179.25 179.85 1s62 h ILE 27 N 0.23 1.23 -0.08 0.00 2.04 -1.53 -2.75 117.51 116.65 1s62 h ILE 27 Ca 0.12 -1.08 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 1s62 h ILE 27 Cb 0.19 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1s62 h ILE 27 CO -0.02 0.32 -0.59 -0.08 0.00 0.00 0.00 178.15 177.78 1s62 h GLU 28 N 0.16 0.27 0.00 2.37 4.22 -1.47 -2.63 114.58 117.50 1s62 h GLU 28 Ca 0.03 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1s62 h GLU 28 Cb 0.55 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1s62 h GLU 28 CO 0.04 0.78 0.00 0.43 -2.18 0.00 0.00 179.01 178.08 1s62 n SER 29 N -3.89 0.00 -0.03 1.04 7.64 -1.04 -0.09 113.62 117.25 1s62 n SER 29 Ca -0.02 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1s62 n SER 29 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.76 -0.48 0.00 1.43 4.76 -1.00 -4.71 118.16 117.41 1s62 n LYS 30 Ca 0.06 -0.52 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1s62 n LYS 30 Cb 0.03 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1s62 n LYS 30 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1s62 n PHE 31 N -0.01 0.00 -2.45 2.13 3.01 -0.18 -4.96 117.46 115.00 1s62 n PHE 31 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1s62 n PHE 31 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1s62 n PHE 31 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1s62 n TYR 32 N -1.77 -2.18 -0.75 1.38 4.19 0.87 -3.49 117.16 115.40 1s62 n TYR 32 Ca 0.00 0.86 0.00 0.00 3.31 0.00 0.00 57.90 62.07 1s62 n TYR 32 Cb 0.41 -3.23 0.00 0.00 0.49 0.00 0.00 39.34 37.02 1s62 n TYR 32 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1s62 n ASP 33 N -0.84 -2.98 0.08 2.98 -0.08 -1.26 -4.74 116.55 109.70 1s62 n ASP 33 Ca 0.05 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.25 1s62 n ASP 33 Cb 0.39 -2.97 -0.07 0.00 2.34 0.00 0.00 41.12 40.81 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s62 h ALA 34 N 0.00 0.43 0.00 -1.67 0.00 -1.87 -2.76 119.26 113.40 1s62 h ALA 34 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1s62 h ALA 34 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s62 h ALA 34 CO 0.00 1.10 0.00 0.77 0.00 0.00 0.00 179.25 181.12 1s62 h SER 35 N 0.02 0.00 0.00 0.00 0.02 -1.85 -3.32 113.55 108.43 1s62 h SER 35 Ca -0.03 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.24 1s62 h SER 35 Cb 1.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 1s62 h SER 35 CO 0.13 0.00 2.83 -1.20 -1.14 0.00 0.00 176.83 177.46 1s62 n SER 36 N -2.75 3.45 -1.75 3.07 7.64 -1.04 -3.11 113.62 119.13 1s62 n SER 36 Ca 0.01 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1s62 n SER 36 Cb 0.25 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 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 6.55 0.00 -1.57 1.43 4.01 -1.25 -5.01 117.16 121.32 1s62 n TYR 37 Ca 0.51 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.96 1s62 n TYR 37 Cb 0.39 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.52 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s62 s ALA 38 N -3.28 2.22 -0.84 -0.72 0.00 -1.26 -4.78 121.76 113.10 1s62 s ALA 38 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 1s62 s ALA 38 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1s62 s ALA 38 CO 0.00 -1.78 2.01 0.41 0.00 0.00 0.00 175.76 176.40 1s62 n GLY 39 N -2.18 2.96 3.97 0.00 0.00 -1.26 -4.33 105.19 104.35 1s62 n GLY 39 Ca 0.07 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 3.68 2.93 -0.18 1.61 1.02 -1.26 -5.03 119.74 122.51 1s62 s LYS 40 Ca 0.39 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.68 1s62 s LYS 40 Cb 0.10 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1s62 s LYS 40 CO -0.02 -0.32 -0.17 0.99 -0.92 0.00 0.00 175.35 174.92 1s62 s THR 41 N -2.53 2.36 0.13 2.17 2.01 -1.26 -4.40 115.64 114.13 1s62 s THR 41 Ca 0.50 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.75 1s62 s THR 41 Cb -0.10 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1s62 s THR 41 CO 0.37 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.65 1s62 s THR 43 N -1.29 0.21 -0.15 0.00 2.01 -0.34 0.17 115.64 116.26 1s62 s THR 43 Ca 0.20 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 1s62 s THR 43 Cb -0.10 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1s62 s THR 43 CO 0.11 -0.61 0.11 -0.76 -0.69 0.00 0.00 174.62 172.78 1s62 s LEU 44 N 1.97 4.19 -0.15 4.42 1.43 -1.01 0.25 118.68 129.78 1s62 s LEU 44 Ca 0.07 0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.25 1s62 s LEU 44 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1s62 s LEU 44 CO -0.28 0.32 0.79 0.00 0.23 0.00 0.00 176.35 177.41 1s62 s ARG 45 N -0.48 4.32 -0.21 1.70 1.70 0.15 -1.86 118.95 124.27 1s62 s ARG 45 Ca 0.12 0.96 -0.00 0.00 -0.47 0.00 0.00 55.73 56.33 1s62 s ARG 45 Cb -0.12 -3.55 0.06 0.00 -0.57 0.00 0.00 34.95 30.77 1s62 s ARG 45 CO 0.02 -0.24 -0.04 0.42 -1.08 0.00 0.00 175.30 174.38 1s62 s ILE 46 N 1.85 1.29 -0.41 4.99 1.01 -1.25 -2.32 121.20 126.36 1s62 s ILE 46 Ca 0.37 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1s62 s ILE 46 Cb -0.17 -1.58 0.08 0.00 0.01 0.00 0.00 42.46 40.81 1s62 s ILE 46 CO 0.14 -0.07 0.24 -0.75 0.00 0.00 0.00 174.94 174.50 1s62 s LYS 47 N 1.51 2.51 -0.01 2.79 2.20 0.09 -1.18 119.74 127.65 1s62 s LYS 47 Ca -0.04 -1.51 -0.09 0.00 -0.36 0.00 0.00 55.97 53.97 1s62 s LYS 47 Cb -0.18 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 1s62 s LYS 47 CO -0.07 -0.96 0.30 -1.17 -0.36 0.00 0.00 175.35 173.09 1s62 s LEU 48 N 1.37 4.40 0.35 5.43 2.96 -0.17 -1.31 118.68 131.71 1s62 s LEU 48 Ca 0.03 0.69 0.07 0.00 -0.22 0.00 0.00 54.13 54.70 1s62 s LEU 48 Cb -0.23 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1s62 s LEU 48 CO 0.01 0.29 0.48 0.00 -1.32 0.00 0.00 176.35 175.81 1s62 s ALA 49 N -1.20 4.29 -0.98 5.97 0.00 -0.11 -4.45 121.76 125.27 1s62 s ALA 49 Ca 0.25 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1s62 s ALA 49 Cb -0.14 -1.65 0.14 0.00 0.00 0.00 0.00 23.12 21.47 1s62 s ALA 49 CO 0.13 -0.08 1.10 -0.35 0.00 0.00 0.00 175.76 176.57 1s62 n PRO 50 N -1.67 0.00 0.00 0.00 -0.04 -1.26 -0.42 135.00 131.62 1s62 n PRO 50 Ca 0.01 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1s62 n PRO 50 Cb 0.58 -1.51 0.60 0.00 -0.04 0.00 0.00 33.50 33.13 1s62 n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1s62 n ASP 51 N -1.52 0.28 -0.09 3.54 2.03 -1.26 -4.34 116.55 115.18 1s62 n ASP 51 Ca 0.01 -0.23 -0.01 0.00 0.52 0.00 0.00 54.79 55.07 1s62 n ASP 51 Cb 0.03 -0.16 -0.01 0.00 -0.72 0.00 0.00 41.12 40.26 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 1.35 0.50 3.77 0.27 0.00 0.44 -4.56 105.19 106.97 1s62 n GLY 52 Ca 0.12 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.54 3.01 -0.61 1.61 0.23 -1.25 -4.70 119.30 116.06 1s62 s MET 53 Ca 0.00 -0.53 -0.22 0.00 -1.03 0.00 0.00 55.69 53.91 1s62 s MET 53 Cb 0.00 -2.82 0.07 0.00 -1.53 0.00 0.00 34.83 30.55 1s62 s MET 53 CO 0.00 0.63 0.86 -0.51 -2.03 0.00 0.00 175.02 173.97 1s62 s LEU 54 N -1.85 4.64 0.27 0.18 1.43 -1.26 -0.94 118.68 121.15 1s62 s LEU 54 Ca 0.24 -0.97 0.13 0.00 -1.03 0.00 0.00 54.13 52.50 1s62 s LEU 54 Cb -0.12 -2.46 0.30 0.00 0.03 0.00 0.00 46.19 43.94 1s62 s LEU 54 CO 0.15 -1.26 1.56 0.17 0.23 0.00 0.00 176.35 177.20 1s62 h LEU 55 N 10.76 0.00 -7.38 1.79 8.10 -1.56 -3.39 115.31 123.63 1s62 h LEU 55 Ca -0.28 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.12 1s62 h LEU 55 Cb 1.08 0.00 -0.39 0.00 -0.44 0.00 0.00 40.66 40.90 1s62 h LEU 55 CO 1.12 0.60 -0.76 -0.62 -4.11 0.00 0.00 178.44 174.67 1s62 s ASP 56 N -6.63 3.93 -0.18 0.17 2.15 -1.18 -5.01 116.67 109.91 1s62 s ASP 56 Ca 0.00 -1.47 -0.02 0.00 0.43 0.00 0.00 52.55 51.49 1s62 s ASP 56 Cb 0.11 -1.02 0.05 0.00 -0.30 0.00 0.00 42.92 41.76 1s62 s ASP 56 CO 0.75 -0.35 0.02 -0.51 -0.17 0.00 0.00 175.17 174.91 1s62 s ILE 57 N 1.49 0.61 -0.08 4.11 1.10 -1.25 -0.73 121.20 126.44 1s62 s ILE 57 Ca 0.04 -0.51 -0.27 0.00 -0.51 0.00 0.00 60.65 59.40 1s62 s ILE 57 Cb -0.18 -1.03 0.06 0.00 0.15 0.00 0.00 42.46 41.46 1s62 s ILE 57 CO -0.15 -0.12 0.63 -0.54 -2.11 0.00 0.00 174.94 172.65 1s62 s LYS 58 N 1.83 0.95 -0.28 3.50 1.02 -0.98 -4.99 119.74 120.80 1s62 s LYS 58 Ca -0.00 0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 1s62 s LYS 58 Cb -0.16 0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1s62 s LYS 58 CO -0.07 -0.27 1.62 -1.25 -0.92 0.00 0.00 175.35 174.46 1s62 s PRO 59 N -0.91 3.65 0.18 -1.68 0.04 -1.26 0.32 135.00 135.34 1s62 s PRO 59 Ca -0.09 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1s62 s PRO 59 Cb -0.02 -4.07 0.07 0.00 0.04 0.00 0.00 34.50 30.52 1s62 s PRO 59 CO 0.08 -1.47 1.44 1.49 0.04 0.00 0.00 177.00 178.58 1s62 h GLU 60 N 11.20 0.39 0.00 4.56 4.57 -0.52 -3.47 114.58 131.31 1s62 h GLU 60 Ca -0.32 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 1s62 h GLU 60 Cb 1.15 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1s62 h GLU 60 CO 1.02 0.96 0.00 0.41 -1.18 0.00 0.00 179.01 180.22 1s62 n GLY 61 N 0.55 -1.34 0.00 1.92 0.00 -1.01 -5.05 105.19 100.26 1s62 n GLY 61 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1s62 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s62 n GLY 62 N -0.11 -0.07 3.59 -0.02 0.00 -1.26 -1.20 105.19 106.12 1s62 n GLY 62 Ca 0.00 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 1s62 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s62 s ASP 63 N -4.00 6.61 0.26 1.61 1.11 0.64 -4.94 116.67 117.96 1s62 s ASP 63 Ca 0.00 0.40 -0.03 0.00 0.18 0.00 0.00 52.55 53.10 1s62 s ASP 63 Cb 0.00 -2.46 0.39 0.00 1.07 0.00 0.00 42.92 41.91 1s62 s ASP 63 CO 0.00 -0.95 1.88 -0.65 1.18 0.00 0.00 175.17 176.63 1s62 h PRO 64 N 8.74 1.13 -0.27 8.23 0.11 -1.90 -1.09 132.00 146.95 1s62 h PRO 64 Ca -0.23 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1s62 h PRO 64 Cb 1.08 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1s62 h PRO 64 CO 1.00 0.75 0.11 0.00 -0.21 0.00 0.00 178.00 179.66 1s62 h ALA 65 N 1.44 0.35 -0.58 -0.75 0.00 -1.99 0.27 119.26 118.00 1s62 h ALA 65 Ca 0.42 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1s62 h ALA 65 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s62 h ALA 65 CO -0.17 -0.06 0.03 1.25 0.00 0.00 0.00 179.25 180.30 1s62 h LEU 66 N 0.29 0.96 -0.27 0.00 5.85 -1.91 -1.79 115.31 118.44 1s62 h LEU 66 Ca 0.09 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1s62 h LEU 66 Cb 0.16 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1s62 h LEU 66 CO -0.01 1.00 -0.10 0.00 -0.34 0.00 0.00 178.44 178.99 1s62 h GLN 68 N 0.28 1.09 -0.50 0.00 1.08 -0.36 0.13 115.11 116.83 1s62 h GLN 68 Ca 0.06 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1s62 h GLN 68 Cb 0.59 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1s62 h GLN 68 CO 0.03 0.84 0.31 0.00 -0.95 0.00 0.00 178.83 179.06 1s62 h ALA 69 N 1.32 0.64 -0.42 3.87 0.00 -1.24 -2.44 119.26 120.99 1s62 h ALA 69 Ca 0.26 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1s62 h ALA 69 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s62 h ALA 69 CO -0.03 0.12 -0.22 0.00 0.00 0.00 0.00 179.25 179.12 1s62 h ALA 70 N 1.15 0.81 -0.55 0.00 0.00 -0.94 -2.74 119.26 117.00 1s62 h ALA 70 Ca 0.18 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1s62 h ALA 70 Cb -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1s62 h ALA 70 CO -0.03 0.65 0.16 -0.07 0.00 0.00 0.00 179.25 179.95 1s62 h LEU 71 N 0.74 0.10 0.05 0.00 3.38 -0.27 0.26 115.31 119.56 1s62 h LEU 71 Ca 0.10 0.09 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 1s62 h LEU 71 Cb 0.76 0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.62 1s62 h LEU 71 CO 0.06 0.07 -1.18 0.00 0.09 0.00 0.00 178.44 177.48 1s62 h ALA 72 N 1.41 0.11 -0.02 1.53 0.00 -1.49 -3.32 119.26 117.49 1s62 h ALA 72 Ca 0.28 -0.80 -0.26 0.00 0.00 0.00 0.00 54.91 54.13 1s62 h ALA 72 Cb 0.37 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1s62 h ALA 72 CO -0.32 0.81 -1.01 0.00 0.00 0.00 0.00 179.25 178.73 1s62 h ALA 73 N 0.49 0.17 -0.16 0.00 0.00 -1.17 -3.30 119.26 115.30 1s62 h ALA 73 Ca -0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 1s62 h ALA 73 Cb 1.86 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1s62 h ALA 73 CO 0.21 0.70 -0.08 0.00 0.00 0.00 0.00 179.25 180.07 1s62 h ALA 74 N 0.45 1.57 -0.03 0.00 0.00 -0.63 -0.03 119.26 120.58 1s62 h ALA 74 Ca -0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1s62 h ALA 74 Cb 1.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1s62 h ALA 74 CO 0.20 0.31 -0.38 0.87 0.00 0.00 0.00 179.25 180.25 1s62 h LYS 75 N 0.23 0.06 -0.02 0.00 1.57 -1.65 -2.53 116.57 114.22 1s62 h LYS 75 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s62 h LYS 75 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1s62 h LYS 75 CO 0.02 0.43 -0.24 1.28 -0.57 0.00 0.00 179.45 180.37 1s62 n LEU 76 N -4.07 2.26 -4.81 2.94 4.77 -0.84 -4.95 117.00 112.31 1s62 n LEU 76 Ca -0.02 -0.78 -0.34 0.00 -0.03 0.00 0.00 56.01 54.84 1s62 n LEU 76 Cb 0.43 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1s62 n LEU 76 CO 0.40 0.40 0.68 0.00 -1.33 0.00 0.00 177.39 177.53 1s62 s ALA 77 N -2.26 3.01 -1.50 -1.18 0.00 -0.09 -4.94 121.76 114.81 1s62 s ALA 77 Ca 0.24 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1s62 s ALA 77 Cb 0.19 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1s62 s ALA 77 CO 0.44 -0.03 2.45 1.17 0.00 0.00 0.00 175.76 179.79 1s62 n LYS 78 N -0.57 3.24 -2.57 0.00 4.81 -1.26 -4.93 118.16 116.88 1s62 n LYS 78 Ca 0.07 -2.56 -0.43 0.00 -0.87 0.00 0.00 58.31 54.52 1s62 n LYS 78 Cb 0.53 -3.09 -0.02 0.00 0.02 0.00 0.00 35.03 32.47 1s62 n LYS 78 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s62 s ILE 79 N 2.54 4.41 0.61 3.15 1.01 -1.26 -5.00 121.20 126.65 1s62 s ILE 79 Ca 0.54 1.63 -0.18 0.00 0.00 0.00 0.00 60.65 62.65 1s62 s ILE 79 Cb 0.15 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1s62 s ILE 79 CO -0.07 -0.42 1.16 -2.84 0.00 0.00 0.00 174.94 172.77 1s62 s PRO 80 N 3.73 2.96 0.25 2.79 0.02 -1.26 -4.85 135.00 138.64 1s62 s PRO 80 Ca 0.49 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 1s62 s PRO 80 Cb -0.14 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1s62 s PRO 80 CO 0.16 -1.17 1.13 -1.59 -0.33 0.00 0.00 177.00 175.20 1s62 s LYS 81 N -3.54 4.60 -0.37 5.54 -2.85 -1.26 -4.68 119.74 117.17 1s62 s LYS 81 Ca 0.73 1.82 -0.30 0.00 -1.00 0.00 0.00 55.97 57.23 1s62 s LYS 81 Cb -0.26 -3.20 -0.08 0.00 -2.06 0.00 0.00 37.83 32.22 1s62 s LYS 81 CO 0.34 0.13 2.29 -0.35 0.10 0.00 0.00 175.35 177.86 1s62 n PRO 82 N 1.54 1.35 0.16 1.78 -0.04 -1.26 -4.83 135.00 133.70 1s62 n PRO 82 Ca 0.00 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.80 1s62 n PRO 82 Cb 0.45 -2.96 0.15 0.00 -0.04 0.00 0.00 33.50 31.10 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1s62 h PRO 83 N 15.25 0.00 -5.86 0.54 0.13 -1.94 -3.44 132.00 136.69 1s62 h PRO 83 Ca -0.30 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.15 1s62 h PRO 83 Cb 1.28 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.15 1s62 h PRO 83 CO 1.05 0.44 -0.77 -1.12 -0.23 0.00 0.00 178.00 177.37 1s62 s SER 84 N -6.42 3.97 0.43 1.44 0.01 -1.26 -5.01 113.70 106.87 1s62 s SER 84 Ca 0.03 -0.27 0.18 0.00 1.31 0.00 0.00 55.95 57.20 1s62 s SER 84 Cb 0.09 -1.19 1.00 0.00 0.21 0.00 0.00 66.02 66.12 1s62 s SER 84 CO 0.72 0.26 1.92 1.56 0.41 0.00 0.00 173.24 178.11 1s62 h GLN 85 N 5.99 0.00 -0.58 12.44 1.08 -1.99 -2.25 115.11 129.80 1s62 h GLN 85 Ca -0.36 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.79 1s62 h GLN 85 Cb 1.18 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 1s62 h GLN 85 CO 0.52 0.25 0.17 0.00 -0.95 0.00 0.00 178.83 178.83 1s62 h ALA 86 N 1.75 1.22 -0.10 3.87 0.00 -1.98 0.19 119.26 124.21 1s62 h ALA 86 Ca -0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1s62 h ALA 86 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1s62 h ALA 86 CO 0.03 0.55 -0.61 0.28 0.00 0.00 0.00 179.25 179.50 1s62 h VAL 87 N 0.84 1.37 -0.06 0.00 2.07 -1.84 -2.76 116.25 115.87 1s62 h VAL 87 Ca 0.19 -1.96 -0.11 0.00 0.82 0.00 0.00 66.70 65.64 1s62 h VAL 87 Cb 0.26 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1s62 h VAL 87 CO -0.01 0.59 -0.47 0.22 0.02 0.00 0.00 177.57 177.92 1s62 h TYR 88 N 0.25 0.19 -0.34 1.57 3.20 -0.95 0.64 116.97 121.53 1s62 h TYR 88 Ca -0.01 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 1s62 h TYR 88 Cb 1.13 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 1s62 h TYR 88 CO 0.03 0.60 -0.12 1.05 -1.64 0.00 0.00 178.16 178.08 1s62 h GLU 89 N 0.13 0.59 0.10 1.82 -0.00 -0.39 -0.35 114.58 116.48 1s62 h GLU 89 Ca 0.01 -0.18 -0.14 0.00 -0.00 0.00 0.00 59.36 59.05 1s62 h GLU 89 Cb 0.87 -0.06 0.02 0.00 -0.00 0.00 0.00 28.75 29.58 1s62 h GLU 89 CO 0.07 0.70 -0.60 0.28 -0.00 0.00 0.00 179.01 179.46 1s62 h VAL 90 N 0.54 1.58 0.00 -1.06 2.07 -1.25 -3.29 116.25 114.84 1s62 h VAL 90 Ca 0.10 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1s62 h VAL 90 Cb 0.53 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1s62 h VAL 90 CO 0.03 0.68 0.00 0.49 0.02 0.00 0.00 177.57 178.79 1s62 n PHE 91 N -4.25 0.00 0.28 1.57 3.72 0.19 -3.24 117.46 115.73 1s62 n PHE 91 Ca -0.13 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.42 1s62 n PHE 91 Cb 0.73 0.00 0.84 0.00 -0.94 0.00 0.00 39.48 40.10 1s62 n PHE 91 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1s62 h LYS 92 N 0.00 0.00 -0.26 -1.08 3.64 -1.13 -0.43 116.57 117.31 1s62 h LYS 92 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1s62 h LYS 92 Cb 0.00 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.67 1s62 h LYS 92 CO 0.00 0.07 -0.24 -1.71 -2.27 0.00 0.00 179.45 175.29 1s62 n ASN 93 N -3.54 -2.09 -3.87 4.20 5.15 -1.20 -4.27 115.26 109.63 1s62 n ASN 93 Ca -0.02 -2.04 -0.29 0.00 -0.60 0.00 0.00 54.58 51.63 1s62 n ASN 93 Cb 0.19 1.14 -0.13 0.00 -0.53 0.00 0.00 39.78 40.46 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 0.65 3.31 -0.53 5.20 0.00 -0.33 -4.96 121.76 125.10 1s62 s ALA 94 Ca 0.27 -3.41 -0.28 0.00 0.00 0.00 0.00 51.96 48.55 1s62 s ALA 94 Cb 0.15 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 1s62 s ALA 94 CO -0.12 -2.06 1.61 -2.14 0.00 0.00 0.00 175.76 173.05 1s62 s PRO 95 N -0.72 3.12 0.31 0.00 0.02 -1.26 -3.93 135.00 132.54 1s62 s PRO 95 Ca 0.21 0.67 0.00 0.00 0.02 0.00 0.00 61.00 61.91 1s62 s PRO 95 Cb -0.15 -4.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.13 1s62 s PRO 95 CO -0.08 -2.14 0.50 -0.51 -0.33 0.00 0.00 177.00 174.44 1s62 s LEU 96 N 7.03 4.08 0.37 -5.54 1.43 -0.78 -4.86 118.68 120.42 1s62 s LEU 96 Ca 0.61 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.89 1s62 s LEU 96 Cb -0.13 -3.25 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 1s62 s LEU 96 CO 0.25 -0.22 0.94 1.51 0.23 0.00 0.00 176.35 179.06 1s62 s ASP 97 N -3.84 7.17 -0.06 2.29 -4.77 -1.26 -2.41 116.67 113.79 1s62 s ASP 97 Ca 0.39 1.77 0.02 0.00 -3.30 0.00 0.00 52.55 51.44 1s62 s ASP 97 Cb -0.10 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.18 1s62 s ASP 97 CO 0.34 -0.19 -0.11 0.12 0.70 0.00 0.00 175.17 176.03 1s62 s PHE 98 N -1.85 1.34 0.23 2.11 5.36 0.13 -4.95 117.98 120.35 1s62 s PHE 98 Ca 0.55 -0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 1s62 s PHE 98 Cb -0.15 -0.99 -0.05 0.00 -0.34 0.00 0.00 43.02 41.49 1s62 s PHE 98 CO 0.19 -0.24 -0.00 -1.59 -1.46 0.00 0.00 175.22 172.12 1s62 s LYS 99 N 0.61 1.32 -0.78 10.12 0.00 -1.26 -0.17 119.74 129.57 1s62 s LYS 99 Ca -0.13 -1.67 -0.26 0.00 0.00 0.00 0.00 55.97 53.92 1s62 s LYS 99 Cb -0.15 -0.58 -0.13 0.00 0.00 0.00 0.00 37.83 36.97 1s62 s LYS 99 CO 0.03 -0.10 2.40 -1.25 0.00 0.00 0.00 175.35 176.42 1s62 s PRO 100 N -3.87 1.64 0.09 1.78 0.04 -1.26 -4.88 135.00 128.53 1s62 s PRO 100 Ca 0.28 0.50 -0.35 0.00 0.04 0.00 0.00 61.00 61.48 1s62 s PRO 100 Cb 0.06 -4.78 -0.14 0.00 0.04 0.00 0.00 34.50 29.67 1s62 s PRO 100 CO 0.08 -4.39 1.56 1.58 0.04 0.00 0.00 177.00 175.88 1s62 n HIS 101 N 18.48 2.07 -1.98 0.56 -0.00 -1.18 -4.58 115.22 128.59 1s62 n HIS 101 Ca 0.46 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.99 1s62 n HIS 101 Cb 0.44 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 1s62 n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38