#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 0.64 -1.64 0.00 0.00 -1.26 -4.98 120.64 113.40 1s62 n GLU 2 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 57.16 57.22 1s62 n GLU 2 Cb 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 31.44 29.65 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 -2.90 -0.18 0.00 -1.84 3.72 -1.26 -4.80 117.46 110.20 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 0.97 -2.66 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 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 -1.18 1.67 3.20 1.37 0.00 -1.26 -3.17 105.19 105.83 1s62 n GLY 4 Ca -0.15 0.58 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 5.49 0.00 1.61 2.47 -1.26 -4.89 114.94 114.36 1s62 s ASN 5 Ca 0.00 -1.75 0.24 0.00 0.42 0.00 0.00 52.86 51.76 1s62 s ASN 5 Cb 0.00 -1.93 0.15 0.00 -1.45 0.00 0.00 41.25 38.02 1s62 s ASN 5 CO 0.00 -0.56 1.21 0.41 -3.72 0.00 0.00 177.10 174.44 1s62 n THR 6 N 4.80 0.00 -2.64 -5.21 -1.04 -1.19 -4.88 114.28 104.13 1s62 n THR 6 Ca -0.07 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.13 1s62 n THR 6 Cb 0.42 1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 70.24 1s62 n THR 6 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1s62 s LYS 7 N -2.21 4.32 -0.05 -2.82 1.02 -1.26 -4.41 119.74 114.34 1s62 s LYS 7 Ca 0.24 1.42 -0.03 0.00 0.02 0.00 0.00 55.97 57.62 1s62 s LYS 7 Cb 0.19 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1s62 s LYS 7 CO 0.42 -0.51 0.06 -1.71 -0.92 0.00 0.00 175.35 172.69 1s62 n ASN 8 N 5.81 -1.69 -0.64 2.83 5.15 -1.26 -5.03 115.26 120.43 1s62 n ASN 8 Ca 0.11 0.36 0.02 0.00 -0.60 0.00 0.00 54.58 54.47 1s62 n ASN 8 Cb 0.47 -2.12 0.02 0.00 -0.53 0.00 0.00 39.78 37.62 1s62 n ASN 8 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1s62 n ASN 9 N 0.45 0.42 -3.16 1.20 2.85 -1.26 -4.95 115.26 110.82 1s62 n ASN 9 Ca -0.11 -2.14 -0.36 0.00 -0.11 0.00 0.00 54.58 51.87 1s62 n ASN 9 Cb 0.16 -0.25 -0.05 0.00 1.24 0.00 0.00 39.78 40.89 1s62 n ASN 9 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s62 n GLY 10 N -0.07 4.15 3.29 8.20 0.00 -1.26 -4.47 105.19 115.03 1s62 n GLY 10 Ca 0.03 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 1.83 2.60 0.00 4.61 0.00 -1.26 -4.97 121.76 124.56 1s62 s ALA 11 Ca 0.69 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1s62 s ALA 11 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1s62 s ALA 11 CO -0.06 -0.08 0.00 0.43 0.00 0.00 0.00 175.76 176.05 1s62 n SER 12 N 4.14 0.00 -2.99 0.00 7.64 -1.26 -2.60 113.62 118.56 1s62 n SER 12 Ca -0.19 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.55 1s62 n SER 12 Cb 0.52 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1s62 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s62 n GLY 13 N 0.00 2.34 0.03 0.23 0.00 -1.26 -4.94 105.19 101.59 1s62 n GLY 13 Ca 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.12 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 14 N 0.29 1.72 0.02 4.61 0.00 -1.07 -1.76 120.51 124.31 1s62 n ALA 14 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 1s62 n ALA 14 Cb 0.68 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 1s62 n ALA 14 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1s62 h ASP 15 N 0.00 0.82 -0.24 0.00 2.03 -1.89 0.14 116.42 117.28 1s62 h ASP 15 Ca 0.00 -0.72 -0.19 0.00 -0.73 0.00 0.00 57.03 55.39 1s62 h ASP 15 Cb 0.30 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1s62 h ASP 15 CO 0.00 1.43 -0.59 0.40 -1.03 0.00 0.00 179.24 179.45 1s62 h ILE 16 N 0.29 1.28 -0.13 4.15 2.04 -1.88 -2.90 117.51 120.36 1s62 h ILE 16 Ca -0.10 -1.78 -0.07 0.00 1.00 0.00 0.00 64.86 63.91 1s62 h ILE 16 Cb 1.54 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1s62 h ILE 16 CO 0.17 0.58 -0.25 -1.13 0.00 0.00 0.00 178.15 177.52 1s62 h ASN 17 N 0.63 0.22 -0.54 1.72 -0.73 -1.35 -2.18 115.58 113.36 1s62 h ASN 17 Ca 0.00 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.09 1s62 h ASN 17 Cb 1.20 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.70 1s62 h ASN 17 CO 0.13 0.47 0.27 -1.13 -0.37 0.00 0.00 177.43 176.80 1s62 h ASN 18 N 0.20 0.69 -0.14 1.15 -0.73 -0.56 0.68 115.58 116.88 1s62 h ASN 18 Ca 0.03 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 1s62 h ASN 18 Cb 0.55 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1s62 h ASN 18 CO 0.04 0.62 0.06 0.22 -0.37 0.00 0.00 177.43 178.00 1s62 h TYR 19 N 0.72 0.20 -0.51 0.67 3.20 -1.28 0.18 116.97 120.16 1s62 h TYR 19 Ca 0.19 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1s62 h TYR 19 Cb 0.10 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1s62 h TYR 19 CO -0.01 0.25 0.27 0.00 -1.64 0.00 0.00 178.16 177.04 1s62 h ALA 20 N 0.93 0.65 -0.36 1.82 0.00 -1.13 -1.61 119.26 119.55 1s62 h ALA 20 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1s62 h ALA 20 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s62 h ALA 20 CO -0.01 -0.07 -0.14 0.78 0.00 0.00 0.00 179.25 179.82 1s62 h GLY 21 N 0.53 0.69 1.19 0.00 0.00 -0.71 -2.97 103.07 101.80 1s62 h GLY 21 Ca 0.22 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1s62 h GLY 21 CO -0.14 0.47 -0.11 1.46 0.00 0.00 0.00 176.54 178.22 1s62 h GLN 22 N 0.58 0.95 -0.55 4.80 4.20 -0.29 -0.92 115.11 123.87 1s62 h GLN 22 Ca 0.10 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1s62 h GLN 22 Cb 0.58 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1s62 h GLN 22 CO 0.04 1.00 0.22 0.82 -0.67 0.00 0.00 178.83 180.24 1s62 h ILE 23 N 0.85 1.22 -0.82 2.54 2.04 -1.23 0.36 117.51 122.47 1s62 h ILE 23 Ca 0.13 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1s62 h ILE 23 Cb 0.65 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1s62 h ILE 23 CO 0.05 0.26 0.36 0.11 0.00 0.00 0.00 178.15 178.93 1s62 h LYS 24 N 0.76 1.20 -0.15 2.37 1.57 -1.36 -2.13 116.57 118.82 1s62 h LYS 24 Ca 0.19 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1s62 h LYS 24 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1s62 h LYS 24 CO -0.02 0.94 -0.48 0.77 -0.57 0.00 0.00 179.45 180.10 1s62 h SER 25 N 1.17 0.43 -0.89 0.86 0.02 -0.72 -2.77 113.55 111.66 1s62 h SER 25 Ca 0.28 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1s62 h SER 25 Cb 0.17 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1s62 h SER 25 CO -0.03 0.84 0.52 0.00 -1.14 0.00 0.00 176.83 177.02 1s62 h ALA 26 N 1.17 1.13 -0.49 3.77 0.00 0.21 0.14 119.26 125.19 1s62 h ALA 26 Ca 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1s62 h ALA 26 Cb 0.96 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s62 h ALA 26 CO 0.08 0.61 -0.06 0.82 0.00 0.00 0.00 179.25 180.70 1s62 h ILE 27 N 1.23 1.26 0.00 0.00 2.04 -1.26 -1.81 117.51 118.97 1s62 h ILE 27 Ca 0.32 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1s62 h ILE 27 Cb -0.03 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1s62 h ILE 27 CO -0.06 0.40 -0.05 -0.08 0.00 0.00 0.00 178.15 178.36 1s62 h GLU 28 N 0.79 0.00 0.00 2.37 4.22 -1.12 -0.99 114.58 119.85 1s62 h GLU 28 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1s62 h GLU 28 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1s62 h GLU 28 CO 0.03 0.05 0.00 0.43 -2.18 0.00 0.00 179.01 177.34 1s62 n SER 29 N -3.15 0.00 -0.02 1.04 7.64 0.42 -2.66 113.62 116.89 1s62 n SER 29 Ca 0.01 0.25 -0.01 0.00 1.01 0.00 0.00 58.87 60.13 1s62 n SER 29 Cb 0.39 -0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.40 2.23 -3.84 1.43 4.76 -0.84 -4.80 118.16 115.70 1s62 n LYS 30 Ca 0.07 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.21 1s62 n LYS 30 Cb 0.21 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.12 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 -2.23 2.94 -0.91 2.13 0.40 -0.43 -5.00 117.98 114.88 1s62 s PHE 31 Ca -0.03 -3.03 -0.16 0.00 -0.60 0.00 0.00 56.93 53.11 1s62 s PHE 31 Cb 0.02 -2.46 -0.26 0.00 0.51 0.00 0.00 43.02 40.84 1s62 s PHE 31 CO 0.25 -0.68 2.27 0.98 0.70 0.00 0.00 175.22 178.74 1s62 n TYR 32 N 2.74 0.46 -1.23 0.36 9.36 -1.09 -0.92 117.16 126.85 1s62 n TYR 32 Ca 0.13 0.01 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 1s62 n TYR 32 Cb 0.35 -1.37 -0.05 0.00 -0.63 0.00 0.00 39.34 37.64 1s62 n TYR 32 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1s62 n ASP 33 N 10.61 -3.73 -0.06 2.98 2.03 -1.26 -4.80 116.55 122.32 1s62 n ASP 33 Ca 0.60 0.26 -0.06 0.00 0.52 0.00 0.00 54.79 56.11 1s62 n ASP 33 Cb 0.25 -3.18 -0.05 0.00 -0.72 0.00 0.00 41.12 37.41 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 0.52 0.01 0.00 -1.67 0.00 -1.36 -3.36 119.26 113.41 1s62 h ALA 34 Ca -0.22 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1s62 h ALA 34 Cb 0.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1s62 h ALA 34 CO 0.32 0.08 -0.38 0.66 0.00 0.00 0.00 179.25 179.92 1s62 h SER 35 N -1.00 0.00 -1.00 0.00 4.64 -1.87 -3.36 113.55 110.96 1s62 h SER 35 Ca -0.02 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.64 1s62 h SER 35 Cb 0.44 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.44 1s62 h SER 35 CO -0.01 0.38 1.97 -0.44 -0.87 0.00 0.00 176.83 177.87 1s62 s SER 36 N -6.62 6.76 0.00 4.97 0.01 -1.26 -4.75 113.70 112.81 1s62 s SER 36 Ca -0.01 -2.21 0.00 0.00 1.31 0.00 0.00 55.95 55.03 1s62 s SER 36 Cb 0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1s62 s SER 36 CO 0.70 -1.24 0.00 -1.22 0.41 0.00 0.00 173.24 171.89 1s62 n TYR 37 N 8.38 0.00 -3.61 2.43 4.02 -1.26 -4.79 117.16 122.33 1s62 n TYR 37 Ca 0.44 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 58.26 1s62 n TYR 37 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s62 s ALA 38 N -3.93 -2.03 0.00 -0.72 0.00 -1.26 -4.64 121.76 109.18 1s62 s ALA 38 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1s62 s ALA 38 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1s62 s ALA 38 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1s62 n GLY 39 N 0.99 1.65 3.83 0.00 0.00 -1.26 -4.95 105.19 105.45 1s62 n GLY 39 Ca -0.08 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 4.13 0.09 1.61 3.01 -1.26 -5.09 119.74 122.23 1s62 s LYS 40 Ca 0.00 1.05 0.04 0.00 -1.01 0.00 0.00 55.97 56.06 1s62 s LYS 40 Cb 0.00 -2.17 -0.03 0.00 -1.01 0.00 0.00 37.83 34.62 1s62 s LYS 40 CO 0.00 -0.11 -0.12 0.99 0.51 0.00 0.00 175.35 176.62 1s62 s THR 41 N -2.33 1.03 -0.08 2.17 2.01 -1.26 -4.63 115.64 112.55 1s62 s THR 41 Ca 0.61 -1.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 1s62 s THR 41 Cb -0.09 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.22 1s62 s THR 41 CO 0.19 -0.41 0.05 0.00 -0.69 0.00 0.00 174.62 173.76 1s62 s THR 43 N 2.11 4.26 -0.37 0.00 2.01 0.58 0.25 115.64 124.49 1s62 s THR 43 Ca 0.04 0.33 -0.18 0.00 0.31 0.00 0.00 61.69 62.19 1s62 s THR 43 Cb -0.13 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.76 1s62 s THR 43 CO -0.05 -1.25 0.53 -0.76 -0.69 0.00 0.00 174.62 172.40 1s62 s LEU 44 N 4.28 4.40 -0.78 4.42 1.43 -0.58 0.02 118.68 131.85 1s62 s LEU 44 Ca 0.32 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1s62 s LEU 44 Cb -0.12 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1s62 s LEU 44 CO 0.19 -0.53 1.64 -0.60 0.23 0.00 0.00 176.35 177.28 1s62 s ARG 45 N 2.45 2.94 -0.25 1.70 3.52 0.45 -1.61 118.95 128.14 1s62 s ARG 45 Ca 0.19 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1s62 s ARG 45 Cb -0.15 -4.64 0.04 0.00 -1.56 0.00 0.00 34.95 28.63 1s62 s ARG 45 CO 0.14 -2.61 -0.10 0.96 -0.81 0.00 0.00 175.30 172.89 1s62 s ILE 46 N 7.60 2.51 -0.39 4.11 -4.36 -1.25 -1.69 121.20 127.72 1s62 s ILE 46 Ca 0.55 -1.25 -0.16 0.00 -0.26 0.00 0.00 60.65 59.53 1s62 s ILE 46 Cb -0.08 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.32 1s62 s ILE 46 CO 0.09 0.15 0.37 -0.75 0.24 0.00 0.00 174.94 175.04 1s62 s LYS 47 N 1.24 3.21 -0.21 0.37 2.20 0.11 -4.03 119.74 122.63 1s62 s LYS 47 Ca -0.03 -0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 54.70 1s62 s LYS 47 Cb -0.17 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 1s62 s LYS 47 CO -0.06 -0.72 0.38 -0.51 -0.36 0.00 0.00 175.35 174.09 1s62 s LEU 48 N 1.96 4.14 0.60 5.43 1.43 -1.02 -1.83 118.68 129.40 1s62 s LEU 48 Ca 0.10 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1s62 s LEU 48 Cb -0.17 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1s62 s LEU 48 CO 0.12 -0.08 1.11 0.00 0.23 0.00 0.00 176.35 177.73 1s62 s ALA 49 N 1.35 2.61 0.67 4.21 0.00 0.15 -4.42 121.76 126.32 1s62 s ALA 49 Ca 0.18 0.63 0.40 0.00 0.00 0.00 0.00 51.96 53.17 1s62 s ALA 49 Cb -0.15 -3.32 2.20 0.00 0.00 0.00 0.00 23.12 21.85 1s62 s ALA 49 CO 0.08 -0.98 2.25 -1.00 0.00 0.00 0.00 175.76 176.10 1s62 h PRO 50 N 0.58 0.00 -0.00 0.00 0.13 -1.94 0.39 132.00 131.16 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1s62 h PRO 50 CO 0.56 0.00 -0.08 -0.40 -0.23 0.00 0.00 178.00 177.85 1s62 n ASP 51 N -3.05 0.42 -0.37 1.44 5.75 -1.26 -4.91 116.55 114.57 1s62 n ASP 51 Ca -0.03 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 1s62 n ASP 51 Cb 0.16 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s62 n GLY 52 N 1.24 0.75 2.91 6.12 0.00 0.13 -4.96 105.19 111.38 1s62 n GLY 52 Ca 0.16 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.10 0.13 -0.82 1.61 0.23 -1.23 -4.78 119.30 112.34 1s62 s MET 53 Ca 0.00 -0.17 -0.25 0.00 -1.03 0.00 0.00 55.69 54.23 1s62 s MET 53 Cb 0.00 -0.04 0.04 0.00 -1.53 0.00 0.00 34.83 33.31 1s62 s MET 53 CO 0.00 0.00 1.30 -0.51 -2.03 0.00 0.00 175.02 173.79 1s62 s LEU 54 N -0.37 3.40 0.18 0.18 1.43 -1.26 0.32 118.68 122.55 1s62 s LEU 54 Ca -0.03 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.23 1s62 s LEU 54 Cb -0.03 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.72 1s62 s LEU 54 CO -0.00 -1.69 1.45 0.17 0.23 0.00 0.00 176.35 176.50 1s62 h LEU 55 N 12.77 0.50 -7.43 1.79 8.10 -1.72 -3.40 115.31 125.92 1s62 h LEU 55 Ca -0.13 -0.31 -0.61 0.00 0.11 0.00 0.00 57.88 56.93 1s62 h LEU 55 Cb 1.04 -0.15 -0.40 0.00 -0.44 0.00 0.00 40.66 40.72 1s62 h LEU 55 CO 1.31 1.04 -0.75 -0.62 -4.11 0.00 0.00 178.44 175.32 1s62 s ASP 56 N -6.96 4.25 -0.21 0.17 2.15 -1.14 -5.01 116.67 109.91 1s62 s ASP 56 Ca -0.06 -1.74 -0.00 0.00 0.43 0.00 0.00 52.55 51.18 1s62 s ASP 56 Cb 0.11 -1.19 0.06 0.00 -0.30 0.00 0.00 42.92 41.59 1s62 s ASP 56 CO 0.84 -0.37 -0.04 -0.51 -0.17 0.00 0.00 175.17 174.92 1s62 s ILE 57 N 1.32 1.26 -0.16 4.11 2.07 -1.26 0.05 121.20 128.60 1s62 s ILE 57 Ca 0.07 -0.96 -0.18 0.00 -1.41 0.00 0.00 60.65 58.17 1s62 s ILE 57 Cb -0.18 -1.54 0.05 0.00 0.13 0.00 0.00 42.46 40.92 1s62 s ILE 57 CO -0.16 -0.06 0.49 -0.54 -1.91 0.00 0.00 174.94 172.77 1s62 s LYS 58 N 1.53 0.62 0.06 3.50 -0.14 -0.68 -5.01 119.74 119.62 1s62 s LYS 58 Ca -0.03 0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 54.84 1s62 s LYS 58 Cb -0.18 0.30 -0.08 0.00 -1.68 0.00 0.00 37.83 36.19 1s62 s LYS 58 CO -0.07 -0.10 1.66 -2.14 -0.76 0.00 0.00 175.35 173.94 1s62 s PRO 59 N -0.01 4.20 -0.14 -1.68 0.02 -1.26 -0.42 135.00 135.70 1s62 s PRO 59 Ca -0.02 2.33 -0.16 0.00 0.02 0.00 0.00 61.00 63.17 1s62 s PRO 59 Cb -0.03 -3.63 -0.13 0.00 0.02 0.00 0.00 34.50 30.72 1s62 s PRO 59 CO 0.02 -0.74 0.30 1.49 -0.33 0.00 0.00 177.00 177.73 1s62 h GLU 60 N 8.43 0.00 -1.90 5.54 4.57 -0.75 -3.45 114.58 127.03 1s62 h GLU 60 Ca -0.43 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1s62 h GLU 60 Cb 1.20 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.58 1s62 h GLU 60 CO 0.93 0.54 0.24 0.20 -1.18 0.00 0.00 179.01 179.75 1s62 s GLY 61 N -4.12 -0.47 0.00 1.92 0.00 -1.14 -5.03 107.32 98.48 1s62 s GLY 61 Ca -0.14 1.87 0.00 0.00 0.00 0.00 0.00 44.72 46.45 1s62 s GLY 61 CO 0.39 1.41 0.00 0.61 0.00 0.00 0.00 173.10 175.50 1s62 n GLY 62 N 1.78 -0.38 3.03 0.20 0.00 -1.26 -0.31 105.19 108.25 1s62 n GLY 62 Ca -0.15 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 2.63 0.27 1.61 1.01 -1.23 -5.01 116.67 111.96 1s62 s ASP 63 Ca 0.00 -0.47 -0.01 0.00 0.71 0.00 0.00 52.55 52.78 1s62 s ASP 63 Cb 0.00 -1.16 0.62 0.00 1.01 0.00 0.00 42.92 43.39 1s62 s ASP 63 CO 0.00 -0.03 1.66 -0.65 0.21 0.00 0.00 175.17 176.36 1s62 h PRO 64 N 7.86 0.22 0.20 8.23 0.11 -1.98 0.14 132.00 146.79 1s62 h PRO 64 Ca -0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1s62 h PRO 64 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s62 h PRO 64 CO 0.52 0.15 -0.10 0.00 -0.21 0.00 0.00 178.00 178.36 1s62 h ALA 65 N 1.73 -0.27 -0.45 -0.75 0.00 -1.99 0.23 119.26 117.76 1s62 h ALA 65 Ca 0.50 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1s62 h ALA 65 Cb 0.96 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1s62 h ALA 65 CO -0.61 -0.61 -0.00 1.25 0.00 0.00 0.00 179.25 179.28 1s62 h LEU 66 N -0.35 0.79 -0.61 0.00 5.85 -1.79 -2.26 115.31 116.94 1s62 h LEU 66 Ca -0.03 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1s62 h LEU 66 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1s62 h LEU 66 CO 0.04 0.90 0.23 0.00 -0.34 0.00 0.00 178.44 179.27 1s62 h GLN 68 N 0.86 1.08 -0.78 0.00 1.08 -0.89 0.18 115.11 116.64 1s62 h GLN 68 Ca 0.20 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 1s62 h GLN 68 Cb 0.23 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1s62 h GLN 68 CO -0.01 1.03 0.37 0.00 -0.95 0.00 0.00 178.83 179.27 1s62 h ALA 69 N 1.03 1.18 -0.20 3.87 0.00 -1.17 -0.91 119.26 123.05 1s62 h ALA 69 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1s62 h ALA 69 Cb 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s62 h ALA 69 CO 0.03 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 1s62 h ALA 70 N 1.29 0.28 -0.54 0.00 0.00 -0.77 -2.46 119.26 117.05 1s62 h ALA 70 Ca 0.27 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1s62 h ALA 70 Cb 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1s62 h ALA 70 CO -0.03 0.05 0.21 -0.07 0.00 0.00 0.00 179.25 179.41 1s62 h LEU 71 N 0.11 0.23 -0.70 0.00 3.38 -0.19 0.45 115.31 118.60 1s62 h LEU 71 Ca 0.05 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1s62 h LEU 71 Cb 0.49 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1s62 h LEU 71 CO 0.02 0.15 -0.04 0.00 0.09 0.00 0.00 178.44 178.67 1s62 h ALA 72 N 1.36 0.90 0.20 1.53 0.00 -1.15 -3.17 119.26 118.93 1s62 h ALA 72 Ca 0.26 -0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1s62 h ALA 72 Cb 0.28 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s62 h ALA 72 CO -0.25 0.64 -1.38 0.00 0.00 0.00 0.00 179.25 178.26 1s62 h ALA 73 N 1.07 -0.04 -0.29 0.00 0.00 -0.93 -3.37 119.26 115.71 1s62 h ALA 73 Ca 0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1s62 h ALA 73 Cb 0.57 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1s62 h ALA 73 CO 0.03 0.71 0.15 0.00 0.00 0.00 0.00 179.25 180.14 1s62 h ALA 74 N 0.10 1.73 0.00 0.00 0.00 -0.17 -1.07 119.26 119.85 1s62 h ALA 74 Ca -0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1s62 h ALA 74 Cb 1.98 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1s62 h ALA 74 CO 0.20 0.23 -0.10 1.57 0.00 0.00 0.00 179.25 181.15 1s62 h LYS 75 N 0.39 0.00 0.00 0.00 2.10 -1.70 -2.76 116.57 114.60 1s62 h LYS 75 Ca 0.10 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.59 1s62 h LYS 75 Cb 0.02 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.32 1s62 h LYS 75 CO -0.02 0.10 -1.43 1.28 -2.00 0.00 0.00 179.45 177.38 1s62 n LEU 76 N -3.21 0.82 -4.77 7.07 4.77 -0.59 -4.94 117.00 116.16 1s62 n LEU 76 Ca 0.01 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 1s62 n LEU 76 Cb 0.39 0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1s62 n LEU 76 CO 0.31 0.13 1.06 0.00 -1.33 0.00 0.00 177.39 177.56 1s62 s ALA 77 N -2.95 3.56 -1.10 -1.18 0.00 -0.51 -4.95 121.76 114.63 1s62 s ALA 77 Ca -0.03 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.21 1s62 s ALA 77 Cb 0.09 -3.54 0.26 0.00 0.00 0.00 0.00 23.12 19.93 1s62 s ALA 77 CO 0.81 -0.80 1.12 0.15 0.00 0.00 0.00 175.76 177.04 1s62 s LYS 78 N -1.49 4.14 0.01 0.00 3.01 -1.26 -5.00 119.74 119.15 1s62 s LYS 78 Ca 0.53 -3.09 -0.30 0.00 -1.01 0.00 0.00 55.97 52.10 1s62 s LYS 78 Cb -0.43 -4.60 -0.05 0.00 -1.01 0.00 0.00 37.83 31.74 1s62 s LYS 78 CO 0.53 -1.30 1.36 0.42 0.51 0.00 0.00 175.35 176.87 1s62 s ILE 79 N -0.85 3.76 1.27 2.17 1.09 -1.26 -5.02 121.20 122.37 1s62 s ILE 79 Ca 0.31 1.17 -0.20 0.00 -1.10 0.00 0.00 60.65 60.83 1s62 s ILE 79 Cb -0.09 -3.75 0.31 0.00 -1.06 0.00 0.00 42.46 37.87 1s62 s ILE 79 CO -0.07 0.02 1.05 -2.84 -0.10 0.00 0.00 174.94 172.99 1s62 s PRO 80 N 2.10 -1.75 0.14 2.79 0.02 -1.26 -4.91 135.00 132.12 1s62 s PRO 80 Ca 0.62 0.04 -0.18 0.00 0.02 0.00 0.00 61.00 61.51 1s62 s PRO 80 Cb -0.31 -1.52 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 1s62 s PRO 80 CO 0.27 -4.08 0.60 0.15 -0.33 0.00 0.00 177.00 173.60 1s62 s LYS 81 N -5.26 4.14 -0.29 5.54 3.01 -1.26 -4.91 119.74 120.71 1s62 s LYS 81 Ca 0.70 0.68 -0.39 0.00 -1.01 0.00 0.00 55.97 55.95 1s62 s LYS 81 Cb -0.11 -3.04 -0.15 0.00 -1.01 0.00 0.00 37.83 33.52 1s62 s LYS 81 CO 0.57 0.52 1.84 -0.35 0.51 0.00 0.00 175.35 178.44 1s62 n PRO 82 N 1.14 1.18 0.23 -1.68 -0.04 -1.26 -4.85 135.00 129.73 1s62 n PRO 82 Ca -0.06 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 63.88 1s62 n PRO 82 Cb 0.51 -2.18 0.56 0.00 -0.04 0.00 0.00 33.50 32.35 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 8.18 0.00 -4.91 0.54 0.13 -1.94 -3.45 132.00 130.55 1s62 h PRO 83 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 1s62 h PRO 83 Cb 1.32 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 1s62 h PRO 83 CO 0.97 0.16 -0.71 -1.12 -0.23 0.00 0.00 178.00 177.08 1s62 s SER 84 N -6.84 1.53 0.35 1.44 0.01 -1.26 -5.04 113.70 103.88 1s62 s SER 84 Ca -0.04 -0.99 0.04 0.00 1.31 0.00 0.00 55.95 56.28 1s62 s SER 84 Cb 0.15 0.03 0.64 0.00 0.21 0.00 0.00 66.02 67.05 1s62 s SER 84 CO 0.67 -0.37 1.92 1.56 0.41 0.00 0.00 173.24 177.43 1s62 h GLN 85 N 2.93 0.58 -0.79 12.44 1.08 -2.00 -2.16 115.11 127.20 1s62 h GLN 85 Ca -0.36 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1s62 h GLN 85 Cb 1.18 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.47 1s62 h GLN 85 CO 0.63 0.53 0.51 0.00 -0.95 0.00 0.00 178.83 179.55 1s62 h ALA 86 N 1.55 1.42 0.00 3.87 0.00 -1.98 -1.09 119.26 123.02 1s62 h ALA 86 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1s62 h ALA 86 Cb 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s62 h ALA 86 CO -0.00 0.53 -0.50 0.28 0.00 0.00 0.00 179.25 179.55 1s62 h VAL 87 N 1.07 1.05 -0.72 0.00 2.07 -1.81 -3.06 116.25 114.86 1s62 h VAL 87 Ca 0.29 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1s62 h VAL 87 Cb -0.11 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1s62 h VAL 87 CO -0.06 0.49 0.38 0.22 0.02 0.00 0.00 177.57 178.62 1s62 h TYR 88 N 0.00 0.99 -0.12 1.57 5.03 -0.63 -0.13 116.97 123.69 1s62 h TYR 88 Ca -0.01 -0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.11 1s62 h TYR 88 Cb 1.12 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1s62 h TYR 88 CO 0.00 0.70 -0.65 0.93 -1.32 0.00 0.00 178.16 177.82 1s62 h GLU 89 N 1.01 0.45 0.22 1.82 5.08 -1.39 -3.28 114.58 118.49 1s62 h GLU 89 Ca 0.25 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1s62 h GLU 89 Cb 0.05 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1s62 h GLU 89 CO -0.04 0.95 -0.11 0.28 -1.00 0.00 0.00 179.01 179.09 1s62 h VAL 90 N 0.33 0.77 0.00 3.13 2.07 -1.31 -3.24 116.25 118.00 1s62 h VAL 90 Ca -0.01 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1s62 h VAL 90 Cb 1.20 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1s62 h VAL 90 CO 0.11 0.17 0.00 2.22 0.02 0.00 0.00 177.57 180.10 1s62 n PHE 91 N -5.01 0.00 0.17 1.57 -1.74 -0.12 -2.22 117.46 110.12 1s62 n PHE 91 Ca -0.08 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.86 1s62 n PHE 91 Cb 0.26 0.00 0.24 0.00 1.52 0.00 0.00 39.48 41.50 1s62 n PHE 91 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1s62 h LYS 92 N 0.00 0.00 0.00 3.97 1.63 -1.62 -2.70 116.57 117.86 1s62 h LYS 92 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1s62 h LYS 92 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1s62 h LYS 92 CO 0.00 0.41 -0.09 0.27 -3.45 0.00 0.00 179.45 176.59 1s62 n ASN 93 N -3.39 -0.38 -4.45 4.20 6.94 -1.13 -4.08 115.26 112.97 1s62 n ASN 93 Ca 0.01 -0.98 -0.40 0.00 -0.02 0.00 0.00 54.58 53.19 1s62 n ASN 93 Cb 0.59 0.15 -0.11 0.00 -2.36 0.00 0.00 39.78 38.05 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1s62 s ALA 94 N 0.02 3.37 0.39 -2.53 0.00 -0.94 -4.92 121.76 117.15 1s62 s ALA 94 Ca 0.01 -1.54 -0.25 0.00 0.00 0.00 0.00 51.96 50.19 1s62 s ALA 94 Cb 0.07 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.50 1s62 s ALA 94 CO -0.02 -1.15 1.11 -2.14 0.00 0.00 0.00 175.76 173.56 1s62 s PRO 95 N 1.63 4.13 0.08 0.00 0.02 -1.26 -4.59 135.00 135.01 1s62 s PRO 95 Ca 0.04 1.69 -0.14 0.00 0.02 0.00 0.00 61.00 62.61 1s62 s PRO 95 Cb -0.18 -2.64 -0.06 0.00 0.02 0.00 0.00 34.50 31.63 1s62 s PRO 95 CO 0.08 -0.21 0.49 -0.51 -0.33 0.00 0.00 177.00 176.51 1s62 s LEU 96 N -2.50 4.41 -0.77 -5.54 1.43 -0.64 -4.88 118.68 110.19 1s62 s LEU 96 Ca 0.57 1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 54.45 1s62 s LEU 96 Cb -0.27 -2.97 0.06 0.00 0.03 0.00 0.00 46.19 43.05 1s62 s LEU 96 CO 0.34 0.20 1.15 1.51 0.23 0.00 0.00 176.35 179.78 1s62 s ASP 97 N -1.46 6.28 -0.54 2.29 -4.77 -1.26 -1.53 116.67 115.68 1s62 s ASP 97 Ca 0.32 -1.05 -0.28 0.00 -3.30 0.00 0.00 52.55 48.23 1s62 s ASP 97 Cb -0.16 -2.48 0.03 0.00 -1.09 0.00 0.00 42.92 39.22 1s62 s ASP 97 CO 0.17 -1.51 1.21 0.12 0.70 0.00 0.00 175.17 175.87 1s62 s PHE 98 N 4.48 2.62 -0.03 2.11 5.36 0.14 -4.88 117.98 127.77 1s62 s PHE 98 Ca 0.31 0.52 -0.15 0.00 -0.96 0.00 0.00 56.93 56.65 1s62 s PHE 98 Cb -0.10 -4.47 0.03 0.00 -0.34 0.00 0.00 43.02 38.13 1s62 s PHE 98 CO 0.06 -1.56 0.33 0.21 -1.46 0.00 0.00 175.22 172.80 1s62 s LYS 99 N 4.87 0.66 -0.29 10.12 2.20 -1.26 -0.26 119.74 135.77 1s62 s LYS 99 Ca 0.47 -0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.70 1s62 s LYS 99 Cb -0.08 0.29 -0.12 0.00 -1.51 0.00 0.00 37.83 36.42 1s62 s LYS 99 CO 0.28 -0.17 0.94 -2.30 -0.36 0.00 0.00 175.35 173.73 1s62 n PRO 100 N 1.43 0.00 -1.51 4.03 -0.01 -1.26 -4.62 135.00 133.07 1s62 n PRO 100 Ca -0.21 0.00 -0.47 0.00 -0.01 0.00 0.00 63.50 62.81 1s62 n PRO 100 Cb 0.56 -0.87 -0.03 0.00 -0.01 0.00 0.00 33.50 33.15 1s62 n PRO 100 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 175.50 173.10 1s62 n HIS 101 N 2.40 0.54 -0.67 6.00 1.44 -1.26 -5.02 115.22 118.65 1s62 n HIS 101 Ca 0.18 0.83 0.00 0.00 -2.01 0.00 0.00 57.72 56.72 1s62 n HIS 101 Cb -0.03 -2.13 0.00 0.00 0.12 0.00 0.00 29.99 27.95 1s62 n HIS 101 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25