#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 3.55 -0.63 0.00 0.41 -1.26 -5.06 118.70 115.71 1s62 s GLU 2 Ca 0.00 -0.29 -0.10 0.00 -0.41 0.00 0.00 54.97 54.17 1s62 s GLU 2 Cb 0.00 -3.10 0.16 0.00 -1.78 0.00 0.00 34.13 29.41 1s62 s GLU 2 CO 0.00 0.54 0.52 -0.06 -0.49 0.00 0.00 175.26 175.77 1s62 s PHE 3 N -0.39 3.51 -1.53 1.61 0.08 -1.26 -4.81 117.98 115.18 1s62 s PHE 3 Ca 0.10 -2.10 -0.11 0.00 0.12 0.00 0.00 56.93 54.94 1s62 s PHE 3 Cb -0.12 -3.54 -0.06 0.00 -0.57 0.00 0.00 43.02 38.73 1s62 s PHE 3 CO 0.02 -0.95 2.72 0.41 -0.10 0.00 0.00 175.22 177.31 1s62 n GLY 4 N 4.25 4.20 5.00 4.36 0.00 -1.26 -4.76 105.19 116.99 1s62 n GLY 4 Ca 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 4.32 0.00 0.06 1.61 5.15 -1.26 -3.86 115.26 121.27 1s62 n ASN 5 Ca 0.70 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.80 1s62 n ASN 5 Cb 0.27 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.63 1s62 n ASN 5 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s62 n THR 6 N 0.00 0.34 -2.64 -0.44 -2.24 -1.26 -5.02 114.28 103.02 1s62 n THR 6 Ca 0.00 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 1s62 n THR 6 Cb 0.00 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1s62 n THR 6 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1s62 n LYS 7 N -2.14 -2.07 0.00 -0.78 4.81 -1.25 -4.00 118.16 112.73 1s62 n LYS 7 Ca 0.02 1.91 0.00 0.00 -0.87 0.00 0.00 58.31 59.37 1s62 n LYS 7 Cb 0.45 -5.05 0.00 0.00 0.02 0.00 0.00 35.03 30.45 1s62 n LYS 7 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s62 n ASN 8 N -0.30 0.00 -3.63 3.14 2.85 -1.26 -4.68 115.26 111.39 1s62 n ASN 8 Ca 0.10 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.41 1s62 n ASN 8 Cb 0.38 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.33 1s62 n ASN 8 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1s62 s ASN 9 N -0.25 -0.45 -0.29 1.20 2.20 -1.26 -5.09 114.94 111.01 1s62 s ASN 9 Ca 0.00 0.42 -0.01 0.00 -0.94 0.00 0.00 52.86 52.33 1s62 s ASN 9 Cb 0.00 0.44 0.13 0.00 -2.00 0.00 0.00 41.25 39.82 1s62 s ASN 9 CO 0.00 -0.54 0.28 -0.83 -2.94 0.00 0.00 177.10 173.07 1s62 s GLY 10 N -1.28 -0.09 -0.15 0.45 0.00 -1.26 -4.99 107.32 99.99 1s62 s GLY 10 Ca -0.12 -0.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 1s62 s GLY 10 CO 0.07 2.59 2.01 0.00 0.00 0.00 0.00 173.10 177.78 1s62 s ALA 11 N 2.34 3.07 0.37 3.20 0.00 -1.26 -4.97 121.76 124.52 1s62 s ALA 11 Ca 0.09 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1s62 s ALA 11 Cb -0.14 -3.97 0.03 0.00 0.00 0.00 0.00 23.12 19.05 1s62 s ALA 11 CO -0.33 -2.29 0.29 0.43 0.00 0.00 0.00 175.76 173.86 1s62 n SER 12 N 9.86 2.17 0.00 0.00 7.64 -1.26 -5.00 113.62 127.03 1s62 n SER 12 Ca 0.25 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1s62 n SER 12 Cb 0.44 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.48 1.16 0.32 0.23 0.00 -1.26 -4.33 105.19 101.78 1s62 n GLY 13 Ca -0.01 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 1.75 1.05 0.21 4.61 0.00 -1.26 -4.29 120.51 122.58 1s62 n ALA 14 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1s62 n ALA 14 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.18 -1.10 -0.62 0.00 3.04 -1.98 0.28 116.42 115.87 1s62 h ASP 15 Ca 0.00 0.10 0.05 0.00 -3.24 0.00 0.00 57.03 53.95 1s62 h ASP 15 Cb 0.18 0.38 -0.05 0.00 -1.04 0.00 0.00 39.33 38.80 1s62 h ASP 15 CO 0.00 -0.53 0.33 0.40 -2.04 0.00 0.00 179.24 177.41 1s62 h ILE 16 N -0.77 0.96 -0.53 4.15 2.04 -1.88 0.21 117.51 121.69 1s62 h ILE 16 Ca -0.02 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1s62 h ILE 16 Cb 0.71 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1s62 h ILE 16 CO -0.11 0.11 0.04 -1.13 0.00 0.00 0.00 178.15 177.06 1s62 h ASN 17 N 0.62 0.89 -0.34 1.72 -1.24 -1.69 -0.43 115.58 115.12 1s62 h ASN 17 Ca 0.27 -0.29 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 1s62 h ASN 17 Cb 0.17 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1s62 h ASN 17 CO -0.18 0.96 0.16 -1.13 -1.29 0.00 0.00 177.43 175.95 1s62 h ASN 18 N 0.79 0.44 -0.17 1.15 -0.73 0.14 0.18 115.58 117.38 1s62 h ASN 18 Ca 0.15 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1s62 h ASN 18 Cb 0.48 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 1s62 h ASN 18 CO 0.02 0.45 0.08 0.22 -0.37 0.00 0.00 177.43 177.83 1s62 h TYR 19 N 0.40 0.23 0.00 0.67 5.03 -0.46 0.15 116.97 122.99 1s62 h TYR 19 Ca 0.11 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 1s62 h TYR 19 Cb 0.13 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1s62 h TYR 19 CO -0.01 0.25 -0.18 0.00 -1.32 0.00 0.00 178.16 176.89 1s62 h ALA 20 N 0.96 1.69 0.09 1.82 0.00 -0.94 -1.60 119.26 121.29 1s62 h ALA 20 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s62 h ALA 20 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s62 h ALA 20 CO -0.01 0.23 -0.04 0.78 0.00 0.00 0.00 179.25 180.21 1s62 h GLY 21 N 0.55 -0.13 2.00 0.00 0.00 0.01 -2.98 103.07 102.52 1s62 h GLY 21 Ca -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1s62 h GLY 21 CO 0.02 -0.05 -0.20 0.06 0.00 0.00 0.00 176.54 176.38 1s62 h GLN 22 N -0.64 0.00 -0.71 4.80 3.07 -0.83 -1.90 115.11 118.90 1s62 h GLN 22 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.67 1s62 h GLN 22 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.05 1s62 h GLN 22 CO 0.02 0.20 0.22 0.82 0.09 0.00 0.00 178.83 180.18 1s62 h ILE 23 N 0.00 1.26 -0.60 1.86 2.04 -1.31 0.33 117.51 121.09 1s62 h ILE 23 Ca -0.00 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1s62 h ILE 23 Cb 0.46 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1s62 h ILE 23 CO 0.03 0.35 0.19 0.11 0.00 0.00 0.00 178.15 178.83 1s62 h LYS 24 N 1.05 0.93 -0.23 2.37 1.57 -1.20 -0.65 116.57 120.41 1s62 h LYS 24 Ca 0.23 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1s62 h LYS 24 Cb 0.31 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1s62 h LYS 24 CO -0.01 0.83 0.10 0.77 -0.57 0.00 0.00 179.45 180.57 1s62 h SER 25 N 0.86 0.31 -0.64 0.86 0.02 -0.80 -1.49 113.55 112.67 1s62 h SER 25 Ca 0.20 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1s62 h SER 25 Cb 0.28 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1s62 h SER 25 CO -0.01 0.38 0.32 0.00 -1.14 0.00 0.00 176.83 176.39 1s62 h ALA 26 N 0.95 0.86 -0.71 3.77 0.00 -0.14 0.36 119.26 124.34 1s62 h ALA 26 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s62 h ALA 26 Cb 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1s62 h ALA 26 CO -0.01 -0.04 0.37 0.82 0.00 0.00 0.00 179.25 180.39 1s62 h ILE 27 N 0.58 1.22 0.00 0.00 2.04 -0.82 -2.31 117.51 118.22 1s62 h ILE 27 Ca 0.30 -0.59 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1s62 h ILE 27 Cb 0.26 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1s62 h ILE 27 CO -0.22 0.25 -0.63 -0.08 0.00 0.00 0.00 178.15 177.47 1s62 h GLU 28 N 0.99 0.00 -0.98 2.37 4.22 -0.64 -2.88 114.58 117.66 1s62 h GLU 28 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.69 1s62 h GLU 28 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1s62 h GLU 28 CO -0.04 0.63 0.00 0.43 -2.18 0.00 0.00 179.01 177.85 1s62 n SER 29 N -3.46 1.60 0.00 1.04 7.64 0.12 0.90 113.62 121.47 1s62 n SER 29 Ca 0.00 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.19 1s62 n SER 29 Cb 0.71 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.30 0.88 -0.02 1.43 4.01 -1.10 -4.89 118.16 118.77 1s62 n LYS 30 Ca 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1s62 n LYS 30 Cb 0.31 -0.67 -0.05 0.00 -0.51 0.00 0.00 35.03 34.11 1s62 n LYS 30 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1s62 n PHE 31 N -1.28 0.00 0.00 2.13 3.01 -0.98 -5.03 117.46 115.31 1s62 n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1s62 n PHE 31 Cb 0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1s62 n PHE 31 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1s62 n TYR 32 N -2.03 0.00 1.16 1.38 4.02 0.26 -2.24 117.16 119.70 1s62 n TYR 32 Ca -0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.87 1s62 n TYR 32 Cb 0.49 0.00 0.30 0.00 -0.02 0.00 0.00 39.34 40.11 1s62 n TYR 32 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1s62 n ASP 33 N 8.57 0.00 0.01 7.72 5.75 -1.26 -1.16 116.55 136.18 1s62 n ASP 33 Ca 0.00 -0.84 -0.18 0.00 -0.01 0.00 0.00 54.79 53.76 1s62 n ASP 33 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s62 h ALA 34 N 2.70 -0.04 0.00 2.12 0.00 -1.83 -3.25 119.26 118.96 1s62 h ALA 34 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1s62 h ALA 34 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s62 h ALA 34 CO 0.00 0.26 -0.12 0.66 0.00 0.00 0.00 179.25 180.05 1s62 h SER 35 N -0.49 0.00 -0.39 0.00 4.64 -1.33 -3.34 113.55 112.65 1s62 h SER 35 Ca -0.09 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.52 1s62 h SER 35 Cb 1.39 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.41 1s62 h SER 35 CO 0.10 0.12 2.78 -1.20 -0.87 0.00 0.00 176.83 177.76 1s62 n SER 36 N -3.21 4.25 0.00 4.97 7.64 -1.00 -3.69 113.62 122.59 1s62 n SER 36 Ca 0.01 -2.89 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1s62 n SER 36 Cb 0.43 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1s62 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s62 n TYR 37 N 6.26 0.00 -2.92 1.43 9.36 -1.26 -4.90 117.16 125.13 1s62 n TYR 37 Ca 0.50 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1s62 n TYR 37 Cb 0.40 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s62 n ALA 38 N -3.00 0.00 -1.43 2.98 0.00 -1.26 -5.04 120.51 112.76 1s62 n ALA 38 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1s62 n ALA 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1s62 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s62 n GLY 39 N 0.00 4.32 3.73 0.00 0.00 -1.26 -4.28 105.19 107.71 1s62 n GLY 39 Ca 0.00 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 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 2.22 2.16 -0.02 1.61 1.02 -1.26 -5.09 119.74 120.38 1s62 s LYS 40 Ca 0.65 -2.03 -0.00 0.00 0.02 0.00 0.00 55.97 54.60 1s62 s LYS 40 Cb 0.17 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 1s62 s LYS 40 CO -0.07 -0.21 0.03 0.95 -0.92 0.00 0.00 175.35 175.14 1s62 s THR 41 N -2.70 -0.03 -0.38 2.17 -4.23 -1.26 -4.08 115.64 105.12 1s62 s THR 41 Ca 0.32 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1s62 s THR 41 Cb 0.04 -0.06 0.13 0.00 1.34 0.00 0.00 72.50 73.95 1s62 s THR 41 CO 0.18 0.05 0.20 0.00 -0.54 0.00 0.00 174.62 174.50 1s62 s THR 43 N 0.86 3.56 -0.25 0.00 2.01 0.04 -0.75 115.64 121.11 1s62 s THR 43 Ca 0.16 0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 1s62 s THR 43 Cb -0.22 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1s62 s THR 43 CO -0.06 -0.12 0.04 -0.76 -0.69 0.00 0.00 174.62 173.04 1s62 s LEU 44 N 4.56 3.41 -1.01 4.42 1.43 0.03 0.32 118.68 131.83 1s62 s LEU 44 Ca 0.75 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 1s62 s LEU 44 Cb -0.31 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.12 1s62 s LEU 44 CO 0.30 -0.08 1.39 -0.13 0.23 0.00 0.00 176.35 178.06 1s62 s ARG 45 N 1.54 3.61 0.06 1.70 0.52 0.13 -2.23 118.95 124.29 1s62 s ARG 45 Ca 0.05 -1.31 -0.03 0.00 -0.52 0.00 0.00 55.73 53.92 1s62 s ARG 45 Cb -0.15 -5.26 -0.05 0.00 0.52 0.00 0.00 34.95 30.01 1s62 s ARG 45 CO 0.01 -2.11 0.26 0.96 0.02 0.00 0.00 175.30 174.45 1s62 s ILE 46 N 4.40 5.32 -0.28 1.52 -4.36 -1.26 -2.03 121.20 124.51 1s62 s ILE 46 Ca 0.43 -0.12 -0.00 0.00 -0.26 0.00 0.00 60.65 60.70 1s62 s ILE 46 Cb -0.01 -3.60 0.09 0.00 1.25 0.00 0.00 42.46 40.19 1s62 s ILE 46 CO -0.09 0.20 0.05 -0.54 0.24 0.00 0.00 174.94 174.80 1s62 s LYS 47 N -2.28 0.94 0.18 0.37 1.02 0.12 -3.03 119.74 117.05 1s62 s LYS 47 Ca 0.34 -1.01 -0.15 0.00 0.02 0.00 0.00 55.97 55.17 1s62 s LYS 47 Cb -0.13 -2.24 -0.07 0.00 -0.52 0.00 0.00 37.83 34.87 1s62 s LYS 47 CO 0.23 -0.85 0.59 -1.17 -0.92 0.00 0.00 175.35 173.23 1s62 s LEU 48 N 1.55 4.30 0.32 3.17 2.96 -0.96 -0.63 118.68 129.40 1s62 s LEU 48 Ca 0.05 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.12 1s62 s LEU 48 Cb -0.18 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1s62 s LEU 48 CO -0.17 0.05 0.49 0.00 -1.32 0.00 0.00 176.35 175.40 1s62 s ALA 49 N -1.55 3.82 -2.00 5.97 0.00 0.49 -4.25 121.76 124.23 1s62 s ALA 49 Ca 0.41 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1s62 s ALA 49 Cb -0.14 -1.95 0.34 0.00 0.00 0.00 0.00 23.12 21.36 1s62 s ALA 49 CO 0.20 0.02 0.78 -0.35 0.00 0.00 0.00 175.76 176.41 1s62 n PRO 50 N -1.68 0.19 0.00 0.00 -0.04 -1.26 -0.57 135.00 131.64 1s62 n PRO 50 Ca -0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.50 1s62 n PRO 50 Cb 0.57 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.96 2.16 0.00 3.54 -0.08 -1.26 -4.05 116.55 115.90 1s62 n ASP 51 Ca 0.04 -1.58 0.00 0.00 -1.51 0.00 0.00 54.79 51.74 1s62 n ASP 51 Cb 0.02 0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s62 n GLY 52 N 1.15 3.25 3.79 0.27 0.00 0.27 -3.75 105.19 110.16 1s62 n GLY 52 Ca 0.09 0.00 -0.35 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 -0.55 3.76 -0.16 1.61 0.23 -1.26 -4.30 119.30 118.63 1s62 s MET 53 Ca 0.00 1.48 -0.24 0.00 -1.03 0.00 0.00 55.69 55.90 1s62 s MET 53 Cb 0.00 -2.18 -0.02 0.00 -1.53 0.00 0.00 34.83 31.10 1s62 s MET 53 CO 0.00 -0.49 0.76 -0.48 -2.03 0.00 0.00 175.02 172.79 1s62 s LEU 54 N -3.37 4.20 0.10 0.18 0.05 -1.26 -0.38 118.68 118.19 1s62 s LEU 54 Ca 0.67 1.11 0.24 0.00 0.05 0.00 0.00 54.13 56.19 1s62 s LEU 54 Cb -0.20 -3.13 0.27 0.00 -2.05 0.00 0.00 46.19 41.08 1s62 s LEU 54 CO 0.24 -0.32 1.25 0.00 -0.55 0.00 0.00 176.35 176.97 1s62 n LEU 55 N 4.92 0.67 -3.63 1.48 -0.00 0.19 -4.88 117.00 115.75 1s62 n LEU 55 Ca 0.02 0.16 -0.14 0.00 -0.00 0.00 0.00 56.01 56.05 1s62 n LEU 55 Cb 0.49 -0.16 -0.07 0.00 -0.00 0.00 0.00 43.42 43.68 1s62 n LEU 55 CO 0.47 -0.03 0.44 -0.62 -0.00 0.00 0.00 177.39 177.65 1s62 s ASP 56 N -4.12 -0.73 -0.29 1.45 2.15 -1.13 -5.00 116.67 108.99 1s62 s ASP 56 Ca 0.06 1.41 -0.04 0.00 0.43 0.00 0.00 52.55 54.41 1s62 s ASP 56 Cb 0.14 1.43 0.17 0.00 -0.30 0.00 0.00 42.92 44.35 1s62 s ASP 56 CO 0.74 -0.25 0.60 -0.51 -0.17 0.00 0.00 175.17 175.58 1s62 s ILE 57 N 0.36 -0.97 -0.01 4.11 2.07 -1.26 0.13 121.20 125.63 1s62 s ILE 57 Ca 0.00 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1s62 s ILE 57 Cb -0.05 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1s62 s ILE 57 CO 0.01 -0.00 0.05 -1.59 -1.91 0.00 0.00 174.94 171.49 1s62 s LYS 58 N 2.85 0.12 0.09 3.50 -2.85 -0.86 -4.96 119.74 117.63 1s62 s LYS 58 Ca 0.12 -0.06 -0.31 0.00 -1.00 0.00 0.00 55.97 54.72 1s62 s LYS 58 Cb -0.14 0.05 -0.07 0.00 -2.06 0.00 0.00 37.83 35.61 1s62 s LYS 58 CO -0.20 -0.02 1.38 -2.14 0.10 0.00 0.00 175.35 174.47 1s62 s PRO 59 N -0.28 4.32 -0.12 1.78 0.02 -1.26 0.23 135.00 139.68 1s62 s PRO 59 Ca -0.03 2.03 -0.08 0.00 0.02 0.00 0.00 61.00 62.94 1s62 s PRO 59 Cb -0.02 -3.33 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 1s62 s PRO 59 CO 0.00 -0.45 0.08 1.49 -0.33 0.00 0.00 177.00 177.79 1s62 h GLU 60 N 7.03 0.00 -2.36 5.54 4.81 -0.49 -3.46 114.58 125.64 1s62 h GLU 60 Ca -0.41 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 1s62 h GLU 60 Cb 1.20 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.37 1s62 h GLU 60 CO 0.87 0.21 -0.01 0.20 -0.73 0.00 0.00 179.01 179.54 1s62 s GLY 61 N -3.90 -0.43 0.00 1.92 0.00 -1.23 -5.01 107.32 98.66 1s62 s GLY 61 Ca -0.08 1.32 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1s62 s GLY 61 CO 0.19 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1s62 n GLY 62 N 2.00 -0.44 3.33 0.20 0.00 -1.26 -0.78 105.19 108.25 1s62 n GLY 62 Ca -0.16 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 4.09 0.24 1.61 2.15 -1.24 -4.99 116.67 114.52 1s62 s ASP 63 Ca 0.00 -0.37 -0.05 0.00 0.43 0.00 0.00 52.55 52.57 1s62 s ASP 63 Cb 0.00 -1.66 0.42 0.00 -0.30 0.00 0.00 42.92 41.39 1s62 s ASP 63 CO 0.00 0.08 1.75 1.55 -0.17 0.00 0.00 175.17 178.39 1s62 h PRO 64 N 7.34 0.52 0.12 4.34 0.13 -1.98 0.35 132.00 142.84 1s62 h PRO 64 Ca -0.34 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1s62 h PRO 64 Cb 1.19 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1s62 h PRO 64 CO 0.59 0.35 -0.06 0.00 -0.23 0.00 0.00 178.00 178.64 1s62 h ALA 65 N 1.50 -0.17 -0.37 -0.56 0.00 -1.99 -1.02 119.26 116.66 1s62 h ALA 65 Ca 0.40 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1s62 h ALA 65 Cb 0.53 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1s62 h ALA 65 CO -0.34 -0.40 0.15 1.25 0.00 0.00 0.00 179.25 179.91 1s62 h LEU 66 N -0.56 0.20 -0.57 0.00 5.85 -1.90 -0.70 115.31 117.63 1s62 h LEU 66 Ca -0.02 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1s62 h LEU 66 Cb 0.44 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1s62 h LEU 66 CO 0.03 0.15 0.20 0.00 -0.34 0.00 0.00 178.44 178.48 1s62 h GLN 68 N 0.79 1.08 -0.50 0.00 5.75 -0.86 -0.23 115.11 121.15 1s62 h GLN 68 Ca 0.19 -0.19 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1s62 h GLN 68 Cb 0.24 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1s62 h GLN 68 CO -0.01 0.89 0.04 0.00 -2.65 0.00 0.00 178.83 177.10 1s62 h ALA 69 N 1.14 0.66 -0.74 3.38 0.00 -0.86 -2.68 119.26 120.17 1s62 h ALA 69 Ca 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s62 h ALA 69 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1s62 h ALA 69 CO -0.02 0.43 0.46 0.00 0.00 0.00 0.00 179.25 180.12 1s62 h ALA 70 N 0.95 1.41 0.01 0.00 0.00 -0.33 -1.20 119.26 120.10 1s62 h ALA 70 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s62 h ALA 70 Cb 0.46 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1s62 h ALA 70 CO 0.02 0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 179.71 1s62 h LEU 71 N 1.02 -0.02 -0.74 0.00 3.38 -0.76 0.18 115.31 118.36 1s62 h LEU 71 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1s62 h LEU 71 Cb -0.06 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1s62 h LEU 71 CO -0.05 -0.01 0.43 0.00 0.09 0.00 0.00 178.44 178.90 1s62 h ALA 72 N 0.98 0.95 -0.25 1.53 0.00 -1.13 -0.65 119.26 120.68 1s62 h ALA 72 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1s62 h ALA 72 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1s62 h ALA 72 CO -0.01 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.72 1s62 h ALA 73 N 1.23 0.33 0.00 0.00 0.00 -0.97 -2.76 119.26 117.09 1s62 h ALA 73 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1s62 h ALA 73 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s62 h ALA 73 CO -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.02 1s62 h ALA 74 N 0.87 1.47 -0.19 0.00 0.00 -0.42 -0.44 119.26 120.55 1s62 h ALA 74 Ca 0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1s62 h ALA 74 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1s62 h ALA 74 CO 0.00 0.23 -0.41 0.87 0.00 0.00 0.00 179.25 179.95 1s62 h LYS 75 N 0.00 0.44 0.00 0.00 1.57 -0.85 -3.11 116.57 114.63 1s62 h LYS 75 Ca -0.00 -0.22 -0.22 0.00 -1.87 0.00 0.00 60.65 58.34 1s62 h LYS 75 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1s62 h LYS 75 CO 0.02 0.78 -1.29 -0.07 -0.57 0.00 0.00 179.45 178.32 1s62 h LEU 76 N 0.37 0.00 -9.44 2.94 -0.00 -1.14 -3.45 115.31 104.59 1s62 h LEU 76 Ca 0.03 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.38 1s62 h LEU 76 Cb 0.87 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1s62 h LEU 76 CO 0.07 0.85 0.80 0.00 -0.00 0.00 0.00 178.44 180.16 1s62 s ALA 77 N -2.74 3.58 -0.47 1.53 0.00 -0.23 -4.97 121.76 118.45 1s62 s ALA 77 Ca -0.02 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.74 1s62 s ALA 77 Cb 0.09 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1s62 s ALA 77 CO 0.81 -0.81 0.57 0.15 0.00 0.00 0.00 175.76 176.48 1s62 s LYS 78 N 1.94 3.13 -0.05 0.00 1.02 -1.26 -4.91 119.74 119.60 1s62 s LYS 78 Ca 0.64 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 55.54 1s62 s LYS 78 Cb -0.34 -4.05 -0.02 0.00 -0.52 0.00 0.00 37.83 32.90 1s62 s LYS 78 CO 0.28 -1.09 0.93 0.42 -0.92 0.00 0.00 175.35 174.98 1s62 s ILE 79 N 2.47 4.88 0.20 2.17 -1.09 -1.26 -5.01 121.20 123.56 1s62 s ILE 79 Ca 0.15 1.92 -0.31 0.00 -2.23 0.00 0.00 60.65 60.18 1s62 s ILE 79 Cb -0.18 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.34 1s62 s ILE 79 CO 0.13 0.12 1.50 -2.84 -1.23 0.00 0.00 174.94 172.62 1s62 s PRO 80 N 1.34 4.24 0.08 2.79 0.02 -1.26 -4.35 135.00 137.86 1s62 s PRO 80 Ca 0.48 2.32 -0.35 0.00 0.02 0.00 0.00 61.00 63.47 1s62 s PRO 80 Cb -0.19 -3.14 -0.14 0.00 0.02 0.00 0.00 34.50 31.05 1s62 s PRO 80 CO 0.22 -0.52 1.57 1.17 -0.33 0.00 0.00 177.00 179.12 1s62 n LYS 81 N 3.20 1.85 -1.89 5.54 4.81 -1.25 -4.56 118.16 125.86 1s62 n LYS 81 Ca 0.10 0.67 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 1s62 n LYS 81 Cb 0.39 -2.41 -0.03 0.00 0.02 0.00 0.00 35.03 33.00 1s62 n LYS 81 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1s62 s PRO 82 N 1.40 4.17 -0.01 1.64 0.04 -1.26 -4.87 135.00 136.12 1s62 s PRO 82 Ca 0.83 2.35 -0.00 0.00 0.04 0.00 0.00 61.00 64.22 1s62 s PRO 82 Cb -0.77 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 29.83 1s62 s PRO 82 CO 0.44 -0.85 -0.01 -1.00 0.04 0.00 0.00 177.00 175.62 1s62 h PRO 83 N 9.51 0.00 -6.74 0.56 0.14 -1.92 -3.45 132.00 130.11 1s62 h PRO 83 Ca -0.43 0.00 -0.53 0.00 0.14 0.00 0.00 66.00 65.18 1s62 h PRO 83 Cb 1.20 0.00 0.06 0.00 0.14 0.00 0.00 31.00 32.40 1s62 h PRO 83 CO 0.94 0.00 0.84 -1.12 0.14 0.00 0.00 178.00 178.80 1s62 s SER 84 N -3.42 6.53 0.27 1.44 0.01 -1.26 -4.85 113.70 112.42 1s62 s SER 84 Ca -0.01 2.77 -0.00 0.00 1.31 0.00 0.00 55.95 60.02 1s62 s SER 84 Cb 0.00 -2.62 0.50 0.00 0.21 0.00 0.00 66.02 64.11 1s62 s SER 84 CO 0.01 -0.81 1.84 1.56 0.41 0.00 0.00 173.24 176.25 1s62 h GLN 85 N 5.32 0.96 0.07 12.44 4.20 -1.98 0.10 115.11 136.23 1s62 h GLN 85 Ca -0.46 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1s62 h GLN 85 Cb 1.22 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1s62 h GLN 85 CO 0.81 0.64 -0.05 0.00 -0.67 0.00 0.00 178.83 179.56 1s62 h ALA 86 N 1.51 -0.12 -0.65 3.87 0.00 -1.99 0.15 119.26 122.04 1s62 h ALA 86 Ca 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1s62 h ALA 86 Cb 0.42 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1s62 h ALA 86 CO -0.25 -0.57 0.27 0.28 0.00 0.00 0.00 179.25 178.98 1s62 h VAL 87 N -0.13 1.24 -0.41 0.00 2.07 -1.80 0.14 116.25 117.36 1s62 h VAL 87 Ca -0.00 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1s62 h VAL 87 Cb 0.12 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1s62 h VAL 87 CO -0.01 0.29 -0.04 0.22 0.02 0.00 0.00 177.57 178.05 1s62 h TYR 88 N 0.91 0.72 0.04 1.57 3.20 -0.50 0.14 116.97 123.05 1s62 h TYR 88 Ca 0.22 -0.10 -0.27 0.00 3.14 0.00 0.00 58.73 61.71 1s62 h TYR 88 Cb 0.19 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 38.29 1s62 h TYR 88 CO 0.01 0.71 -1.08 0.93 -1.64 0.00 0.00 178.16 177.09 1s62 h GLU 89 N 0.63 0.67 -0.29 1.82 4.39 -0.46 -2.91 114.58 118.42 1s62 h GLU 89 Ca 0.12 -0.77 -0.03 0.00 0.34 0.00 0.00 59.36 59.03 1s62 h GLU 89 Cb 0.46 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1s62 h GLU 89 CO 0.02 1.33 0.08 0.28 -1.16 0.00 0.00 179.01 179.57 1s62 h VAL 90 N 0.33 1.21 0.00 3.13 2.07 -0.48 -2.75 116.25 119.75 1s62 h VAL 90 Ca -0.14 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1s62 h VAL 90 Cb 1.74 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1s62 h VAL 90 CO 0.21 0.23 0.00 0.49 0.02 0.00 0.00 177.57 178.52 1s62 n PHE 91 N -4.69 0.00 0.30 1.57 3.01 0.45 -2.76 117.46 115.34 1s62 n PHE 91 Ca -0.02 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.60 1s62 n PHE 91 Cb 0.18 -0.31 0.95 0.00 -0.01 0.00 0.00 39.48 40.28 1s62 n PHE 91 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1s62 h LYS 92 N 0.00 0.00 -0.64 -1.08 1.57 -1.27 -2.54 116.57 112.61 1s62 h LYS 92 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1s62 h LYS 92 Cb 0.26 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.40 1s62 h LYS 92 CO 0.00 0.02 -0.54 -1.71 -0.57 0.00 0.00 179.45 176.65 1s62 n ASN 93 N -3.59 -2.89 -3.98 0.86 4.05 -1.11 -3.19 115.26 105.40 1s62 n ASN 93 Ca -0.03 -3.07 -0.31 0.00 0.45 0.00 0.00 54.58 51.63 1s62 n ASN 93 Cb 0.12 1.58 -0.11 0.00 1.23 0.00 0.00 39.78 42.60 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1s62 s ALA 94 N 0.65 3.88 -0.53 5.20 0.00 -1.17 -4.99 121.76 124.80 1s62 s ALA 94 Ca 0.31 -3.75 -0.28 0.00 0.00 0.00 0.00 51.96 48.25 1s62 s ALA 94 Cb 0.12 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1s62 s ALA 94 CO -0.15 -2.10 1.58 -2.14 0.00 0.00 0.00 175.76 172.94 1s62 s PRO 95 N -1.22 3.16 0.11 0.00 0.02 -1.26 -4.45 135.00 131.36 1s62 s PRO 95 Ca 0.24 0.66 -0.10 0.00 0.02 0.00 0.00 61.00 61.83 1s62 s PRO 95 Cb -0.09 -4.19 -0.06 0.00 0.02 0.00 0.00 34.50 30.18 1s62 s PRO 95 CO -0.13 -2.10 0.43 -0.51 -0.33 0.00 0.00 177.00 174.36 1s62 s LEU 96 N 6.87 4.32 -0.89 -5.54 1.43 -0.95 -4.81 118.68 119.10 1s62 s LEU 96 Ca 0.60 0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 54.26 1s62 s LEU 96 Cb -0.13 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 42.99 1s62 s LEU 96 CO 0.26 0.12 1.42 -0.62 0.23 0.00 0.00 176.35 177.76 1s62 s ASP 97 N -1.92 6.27 -0.61 2.29 -1.08 -1.26 -0.79 116.67 119.57 1s62 s ASP 97 Ca 0.36 -0.97 -0.24 0.00 -0.52 0.00 0.00 52.55 51.18 1s62 s ASP 97 Cb -0.13 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.81 1s62 s ASP 97 CO 0.19 -1.72 0.99 -0.36 0.52 0.00 0.00 175.17 174.79 1s62 s PHE 98 N 5.64 2.69 0.23 -5.34 0.08 0.07 -4.78 117.98 116.59 1s62 s PHE 98 Ca 0.44 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.37 1s62 s PHE 98 Cb -0.04 -4.22 -0.04 0.00 -0.57 0.00 0.00 43.02 38.16 1s62 s PHE 98 CO 0.01 -1.53 0.06 -1.59 -0.10 0.00 0.00 175.22 172.07 1s62 s LYS 99 N 4.20 2.54 -0.70 0.44 -2.85 -1.26 -0.80 119.74 121.31 1s62 s LYS 99 Ca 0.28 -1.19 -0.26 0.00 -1.00 0.00 0.00 55.97 53.80 1s62 s LYS 99 Cb -0.13 -2.36 -0.14 0.00 -2.06 0.00 0.00 37.83 33.14 1s62 s LYS 99 CO 0.16 0.41 2.47 -2.30 0.10 0.00 0.00 175.35 176.18 1s62 n PRO 100 N -0.73 0.63 -3.18 1.78 -0.02 -1.26 -4.87 135.00 127.34 1s62 n PRO 100 Ca -0.08 -0.14 -0.39 0.00 -2.02 0.00 0.00 63.50 60.87 1s62 n PRO 100 Cb 0.57 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1s62 n PRO 100 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1s62 s HIS 101 N 10.96 3.54 0.00 6.00 -3.43 -1.24 -4.75 115.29 126.37 1s62 s HIS 101 Ca 1.09 1.06 0.00 0.00 -0.80 0.00 0.00 55.06 56.41 1s62 s HIS 101 Cb -0.49 -2.68 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 1s62 s HIS 101 CO 0.31 0.12 0.36 -2.39 -2.00 0.00 0.00 174.74 171.15