#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 3.79 -0.04 0.00 8.01 -1.26 -4.99 118.70 124.22 1s62 s GLU 2 Ca 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 54.97 54.70 1s62 s GLU 2 Cb 0.00 -3.24 -0.16 0.00 -4.31 0.00 0.00 34.13 26.42 1s62 s GLU 2 CO 0.00 0.48 3.05 1.19 0.01 0.00 0.00 175.26 179.99 1s62 n PHE 3 N 2.91 0.14 -3.82 1.61 3.01 -1.26 -4.72 117.46 115.34 1s62 n PHE 3 Ca -0.18 -1.39 -0.25 0.00 1.01 0.00 0.00 57.45 56.64 1s62 n PHE 3 Cb 0.53 -1.24 0.02 0.00 -0.01 0.00 0.00 39.48 38.78 1s62 n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s62 n GLY 4 N 2.04 -0.35 3.66 1.37 0.00 -1.26 -4.86 105.19 105.78 1s62 n GLY 4 Ca 0.30 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.99 6.63 -1.03 1.61 3.04 -1.26 -4.62 114.94 115.32 1s62 s ASN 5 Ca 0.24 2.27 -0.24 0.00 0.04 0.00 0.00 52.86 55.17 1s62 s ASN 5 Cb -0.12 -2.53 -0.09 0.00 -1.54 0.00 0.00 41.25 36.97 1s62 s ASN 5 CO 0.83 -0.95 2.00 -0.89 -3.04 0.00 0.00 177.10 175.05 1s62 s THR 6 N 4.14 3.41 0.00 -5.21 2.01 -1.26 -2.66 115.64 116.06 1s62 s THR 6 Ca 0.75 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1s62 s THR 6 Cb -0.34 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.01 1s62 s THR 6 CO 0.31 -0.79 0.00 1.17 -0.69 0.00 0.00 174.62 174.62 1s62 n LYS 7 N 8.54 0.00 0.00 4.92 0.00 -1.26 -4.94 118.16 125.42 1s62 n LYS 7 Ca 0.43 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.79 1s62 n LYS 7 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.52 1s62 n LYS 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1s62 n ASN 8 N -1.21 1.69 -4.60 3.14 5.15 -1.25 -4.99 115.26 113.18 1s62 n ASN 8 Ca 0.00 -1.35 -0.28 0.00 -0.60 0.00 0.00 54.58 52.36 1s62 n ASN 8 Cb 0.00 0.16 -0.11 0.00 -0.53 0.00 0.00 39.78 39.30 1s62 n ASN 8 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1s62 s ASN 9 N -1.09 3.84 0.00 1.20 0.02 -1.09 -4.99 114.94 112.83 1s62 s ASN 9 Ca 0.12 -1.33 0.00 0.00 -1.02 0.00 0.00 52.86 50.62 1s62 s ASN 9 Cb 0.09 -0.39 0.00 0.00 0.02 0.00 0.00 41.25 40.97 1s62 s ASN 9 CO 0.18 -0.39 0.00 0.61 0.02 0.00 0.00 177.10 177.52 1s62 n GLY 10 N -0.93 1.43 3.44 0.66 0.00 -1.26 -4.26 105.19 104.28 1s62 n GLY 10 Ca -0.05 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.99 -1.29 -1.37 4.61 0.00 -1.26 -5.05 121.76 115.41 1s62 s ALA 11 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1s62 s ALA 11 Cb 0.00 0.83 -0.08 0.00 0.00 0.00 0.00 23.12 23.87 1s62 s ALA 11 CO 0.00 -0.76 2.71 -1.13 0.00 0.00 0.00 175.76 176.58 1s62 n SER 12 N -0.34 7.50 -1.37 0.00 3.41 -1.26 -3.48 113.62 118.07 1s62 n SER 12 Ca -0.15 -2.49 -0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1s62 n SER 12 Cb 0.64 -1.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.18 1s62 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s62 n GLY 13 N 3.61 -0.73 3.85 5.00 0.00 -1.26 -5.01 105.19 110.65 1s62 n GLY 13 Ca 0.67 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 s ALA 14 N 0.01 3.80 0.00 4.61 0.00 -1.23 -4.31 121.76 124.64 1s62 s ALA 14 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1s62 s ALA 14 Cb 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1s62 s ALA 14 CO -0.01 0.67 0.00 -3.47 0.00 0.00 0.00 175.76 172.95 1s62 n ASP 15 N 1.53 0.00 -0.02 0.00 2.03 -1.26 -4.06 116.55 114.77 1s62 n ASP 15 Ca -0.16 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.06 1s62 n ASP 15 Cb 0.54 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 1s62 n ASP 15 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s62 h ILE 16 N 0.00 0.72 -0.47 5.18 2.04 -1.93 0.68 117.51 123.73 1s62 h ILE 16 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1s62 h ILE 16 Cb 0.00 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1s62 h ILE 16 CO 0.00 0.00 0.18 -1.13 0.00 0.00 0.00 178.15 177.20 1s62 h ASN 17 N -0.09 0.60 -0.10 1.72 -1.24 -1.75 -1.90 115.58 112.82 1s62 h ASN 17 Ca 0.09 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 1s62 h ASN 17 Cb 0.22 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 1s62 h ASN 17 CO -0.21 0.55 -0.00 -1.13 -1.29 0.00 0.00 177.43 175.35 1s62 h ASN 18 N 0.66 0.17 -0.97 1.15 -0.73 -1.59 -2.66 115.58 111.61 1s62 h ASN 18 Ca 0.16 -0.32 0.05 0.00 1.87 0.00 0.00 56.30 58.06 1s62 h ASN 18 Cb 0.14 -0.05 -0.06 0.00 0.27 0.00 0.00 38.32 38.63 1s62 h ASN 18 CO -0.01 0.45 0.63 0.22 -0.37 0.00 0.00 177.43 178.35 1s62 h TYR 19 N -0.11 1.17 -0.52 0.67 3.20 -0.53 -0.47 116.97 120.38 1s62 h TYR 19 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1s62 h TYR 19 Cb 0.37 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1s62 h TYR 19 CO 0.04 0.63 0.27 0.00 -1.64 0.00 0.00 178.16 177.46 1s62 h ALA 20 N 1.42 1.51 -0.37 1.82 0.00 -1.29 -1.86 119.26 120.49 1s62 h ALA 20 Ca 0.40 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1s62 h ALA 20 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1s62 h ALA 20 CO -0.15 0.41 -0.23 0.78 0.00 0.00 0.00 179.25 180.05 1s62 h GLY 21 N 0.80 0.79 1.34 0.00 0.00 -0.76 -0.69 103.07 104.55 1s62 h GLY 21 Ca 0.18 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1s62 h GLY 21 CO -0.03 0.62 0.02 1.46 0.00 0.00 0.00 176.54 178.60 1s62 h GLN 22 N 0.64 0.81 -0.17 4.80 4.20 -0.55 -2.16 115.11 122.68 1s62 h GLN 22 Ca 0.09 -0.21 -0.22 0.00 0.06 0.00 0.00 58.65 58.36 1s62 h GLN 22 Cb 0.73 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1s62 h GLN 22 CO 0.06 0.80 -0.76 0.82 -0.67 0.00 0.00 178.83 179.08 1s62 h ILE 23 N 0.76 1.28 -0.87 2.54 2.04 -1.22 -2.01 117.51 120.02 1s62 h ILE 23 Ca 0.15 -1.95 0.08 0.00 1.00 0.00 0.00 64.86 64.14 1s62 h ILE 23 Cb 0.44 1.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 1s62 h ILE 23 CO 0.02 0.62 0.57 0.11 0.00 0.00 0.00 178.15 179.46 1s62 h LYS 24 N 0.55 0.89 0.12 2.37 1.57 -0.84 0.91 116.57 122.14 1s62 h LYS 24 Ca -0.05 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.45 1s62 h LYS 24 Cb 1.39 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 33.52 1s62 h LYS 24 CO 0.16 0.59 -0.96 0.66 -0.57 0.00 0.00 179.45 179.33 1s62 h SER 25 N 0.92 0.63 -0.29 0.86 4.64 -1.38 -3.04 113.55 115.89 1s62 h SER 25 Ca 0.39 -0.88 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1s62 h SER 25 Cb 0.31 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1s62 h SER 25 CO -0.15 1.45 0.18 0.00 -0.87 0.00 0.00 176.83 177.43 1s62 h ALA 26 N 0.19 0.36 -0.68 5.18 0.00 -0.87 -1.82 119.26 121.62 1s62 h ALA 26 Ca -0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1s62 h ALA 26 Cb 1.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1s62 h ALA 26 CO 0.18 -0.19 0.17 0.82 0.00 0.00 0.00 179.25 180.23 1s62 h ILE 27 N 0.36 1.26 0.00 0.00 2.04 -0.96 -1.94 117.51 118.27 1s62 h ILE 27 Ca 0.11 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1s62 h ILE 27 Cb -0.02 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1s62 h ILE 27 CO -0.04 0.36 -0.05 -0.33 0.00 0.00 0.00 178.15 178.10 1s62 h GLU 28 N 1.03 0.00 -0.65 2.37 4.39 -1.38 -1.36 114.58 118.98 1s62 h GLU 28 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1s62 h GLU 28 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1s62 h GLU 28 CO 0.00 0.05 0.00 0.43 -1.16 0.00 0.00 179.01 178.33 1s62 n SER 29 N -3.20 4.60 -1.55 1.42 7.64 -0.71 -3.76 113.62 118.05 1s62 n SER 29 Ca -0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 58.87 57.25 1s62 n SER 29 Cb 0.28 -0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.69 0.33 -0.26 1.43 4.76 -0.57 -4.99 118.16 119.56 1s62 n LYS 30 Ca 0.23 -1.63 -0.06 0.00 -2.87 0.00 0.00 58.31 53.98 1s62 n LYS 30 Cb 0.93 0.10 0.05 0.00 -1.84 0.00 0.00 35.03 34.28 1s62 n LYS 30 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1s62 h PHE 31 N 0.73 1.01 0.00 2.13 -0.00 -1.50 -3.39 116.94 115.93 1s62 h PHE 31 Ca -0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 1s62 h PHE 31 Cb 1.56 -0.32 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 1s62 h PHE 31 CO 0.03 0.74 0.00 0.66 -0.00 0.00 0.00 178.31 179.73 1s62 n TYR 32 N -4.45 0.00 -2.14 6.09 4.02 -1.26 -0.50 117.16 118.92 1s62 n TYR 32 Ca 0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.94 1s62 n TYR 32 Cb 0.12 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.42 1s62 n TYR 32 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1s62 n ASP 33 N 1.97 0.02 0.20 7.72 2.03 -1.26 -4.88 116.55 122.34 1s62 n ASP 33 Ca 0.00 -1.77 0.13 0.00 0.52 0.00 0.00 54.79 53.66 1s62 n ASP 33 Cb 0.00 -0.05 0.27 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.28 1.00 0.00 -1.67 0.00 -1.05 -3.12 119.26 114.69 1s62 h ALA 34 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s62 h ALA 34 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1s62 h ALA 34 CO -0.05 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.86 1s62 h SER 35 N 0.00 0.00 0.00 0.00 4.64 -1.90 -3.17 113.55 113.12 1s62 h SER 35 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1s62 h SER 35 Cb 0.89 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 1s62 h SER 35 CO 0.00 0.00 0.71 -1.20 -0.87 0.00 0.00 176.83 175.47 1s62 n SER 36 N -2.74 5.96 0.00 4.97 7.64 -1.18 -4.80 113.62 123.46 1s62 n SER 36 Ca -0.00 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1s62 n SER 36 Cb 0.18 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 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 2.80 0.00 -1.10 1.43 0.18 -1.20 -4.99 117.16 114.28 1s62 n TYR 37 Ca 0.51 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.29 1s62 n TYR 37 Cb 0.72 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.68 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1s62 n ALA 38 N -3.00 -2.67 0.00 -3.48 0.00 -1.26 -4.80 120.51 105.30 1s62 n ALA 38 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1s62 n ALA 38 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.66 3.03 3.46 0.00 0.00 -1.26 -5.04 105.19 106.04 1s62 n GLY 39 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.58 1.66 0.01 1.61 1.02 -1.26 -5.09 119.74 117.11 1s62 s LYS 40 Ca 0.00 -1.28 -0.03 0.00 0.02 0.00 0.00 55.97 54.68 1s62 s LYS 40 Cb 0.00 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1s62 s LYS 40 CO 0.00 0.46 0.05 0.99 -0.92 0.00 0.00 175.35 175.93 1s62 s THR 41 N -1.24 0.09 -0.22 2.17 2.01 -1.26 -4.52 115.64 112.67 1s62 s THR 41 Ca 0.18 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1s62 s THR 41 Cb -0.10 -0.32 0.11 0.00 0.01 0.00 0.00 72.50 72.20 1s62 s THR 41 CO 0.09 -0.41 0.42 0.00 -0.69 0.00 0.00 174.62 174.04 1s62 s THR 43 N 2.61 4.34 -0.18 0.00 2.01 0.95 0.28 115.64 125.65 1s62 s THR 43 Ca 0.03 1.63 -0.06 0.00 0.31 0.00 0.00 61.69 63.60 1s62 s THR 43 Cb -0.13 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1s62 s THR 43 CO -0.14 -0.11 0.03 -0.76 -0.69 0.00 0.00 174.62 172.95 1s62 s LEU 44 N 3.11 3.61 -0.86 4.42 1.43 0.03 0.00 118.68 130.42 1s62 s LEU 44 Ca 0.53 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1s62 s LEU 44 Cb -0.21 -1.90 0.09 0.00 0.03 0.00 0.00 46.19 44.20 1s62 s LEU 44 CO 0.15 0.16 1.15 -0.60 0.23 0.00 0.00 176.35 177.45 1s62 s ARG 45 N 0.42 3.44 -0.36 1.70 3.52 0.71 -1.31 118.95 127.07 1s62 s ARG 45 Ca 0.01 -1.31 -0.14 0.00 -0.13 0.00 0.00 55.73 54.16 1s62 s ARG 45 Cb -0.13 -4.77 -0.00 0.00 -1.56 0.00 0.00 34.95 28.48 1s62 s ARG 45 CO 0.01 -1.89 0.31 0.42 -0.81 0.00 0.00 175.30 173.35 1s62 s ILE 46 N 3.65 5.23 -0.52 4.11 1.01 -1.26 -2.36 121.20 131.06 1s62 s ILE 46 Ca 0.32 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 1s62 s ILE 46 Cb -0.07 -3.83 0.12 0.00 0.01 0.00 0.00 42.46 38.69 1s62 s ILE 46 CO -0.03 -0.14 0.46 -0.75 0.00 0.00 0.00 174.94 174.48 1s62 s LYS 47 N 1.85 2.92 -0.13 2.79 2.20 0.11 -2.39 119.74 127.08 1s62 s LYS 47 Ca 0.08 -1.66 -0.17 0.00 -0.36 0.00 0.00 55.97 53.86 1s62 s LYS 47 Cb -0.17 -4.22 -0.04 0.00 -1.51 0.00 0.00 37.83 31.89 1s62 s LYS 47 CO 0.11 -1.26 0.42 -0.51 -0.36 0.00 0.00 175.35 173.75 1s62 s LEU 48 N 1.57 4.27 0.24 5.43 1.43 -0.25 -3.21 118.68 128.16 1s62 s LEU 48 Ca 0.03 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 1s62 s LEU 48 Cb -0.29 -2.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.25 1s62 s LEU 48 CO 0.03 0.03 1.05 0.00 0.23 0.00 0.00 176.35 177.69 1s62 s ALA 49 N 0.58 3.37 0.35 4.21 0.00 0.17 -4.36 121.76 126.09 1s62 s ALA 49 Ca 0.23 0.79 0.28 0.00 0.00 0.00 0.00 51.96 53.25 1s62 s ALA 49 Cb -0.14 -3.30 1.50 0.00 0.00 0.00 0.00 23.12 21.17 1s62 s ALA 49 CO 0.08 -0.07 1.82 -1.00 0.00 0.00 0.00 175.76 176.60 1s62 h PRO 50 N 4.30 0.00 -0.00 0.00 0.13 -1.92 0.18 132.00 134.69 1s62 h PRO 50 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s62 h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1s62 h PRO 50 CO 0.69 0.00 -0.00 -3.47 -0.23 0.00 0.00 178.00 174.98 1s62 n ASP 51 N -2.61 0.19 -1.07 1.44 2.03 -1.26 -4.72 116.55 110.54 1s62 n ASP 51 Ca -0.02 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1s62 n ASP 51 Cb 0.24 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 1.04 0.57 3.62 0.27 0.00 0.62 -4.78 105.19 106.54 1s62 n GLY 52 Ca 0.23 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.72 0.77 -0.98 1.61 0.23 -1.19 -4.79 119.30 112.25 1s62 s MET 53 Ca 0.00 1.08 -0.17 0.00 -1.03 0.00 0.00 55.69 55.58 1s62 s MET 53 Cb 0.00 0.29 0.15 0.00 -1.53 0.00 0.00 34.83 33.74 1s62 s MET 53 CO 0.00 -0.12 1.14 -0.48 -2.03 0.00 0.00 175.02 173.53 1s62 s LEU 54 N 0.93 5.32 0.20 0.18 0.05 -1.26 -0.65 118.68 123.45 1s62 s LEU 54 Ca -0.04 -2.36 0.10 0.00 0.05 0.00 0.00 54.13 51.87 1s62 s LEU 54 Cb -0.05 -2.37 0.08 0.00 -2.05 0.00 0.00 46.19 41.80 1s62 s LEU 54 CO -0.08 -0.91 1.45 0.17 -0.55 0.00 0.00 176.35 176.42 1s62 h LEU 55 N 9.81 0.00 -7.02 1.48 -0.00 -1.95 -3.40 115.31 114.23 1s62 h LEU 55 Ca 0.18 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.46 1s62 h LEU 55 Cb 0.99 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 41.25 1s62 h LEU 55 CO 1.08 0.78 -0.75 -0.62 -0.00 0.00 0.00 178.44 178.94 1s62 s ASP 56 N -6.73 3.73 -0.27 0.17 2.15 -1.20 -5.06 116.67 109.47 1s62 s ASP 56 Ca 0.00 -2.36 0.02 0.00 0.43 0.00 0.00 52.55 50.64 1s62 s ASP 56 Cb 0.11 -0.98 0.07 0.00 -0.30 0.00 0.00 42.92 41.83 1s62 s ASP 56 CO 0.78 -0.31 -0.02 -0.51 -0.17 0.00 0.00 175.17 174.95 1s62 s ILE 57 N 0.70 1.71 0.01 4.11 2.07 -1.26 0.05 121.20 128.59 1s62 s ILE 57 Ca 0.16 -1.54 0.03 0.00 -1.41 0.00 0.00 60.65 57.88 1s62 s ILE 57 Cb -0.23 -2.04 -0.01 0.00 0.13 0.00 0.00 42.46 40.31 1s62 s ILE 57 CO -0.05 -0.26 -0.08 -1.59 -1.91 0.00 0.00 174.94 171.04 1s62 s LYS 58 N 1.27 0.61 0.15 3.50 0.00 -1.00 -5.00 119.74 119.28 1s62 s LYS 58 Ca -0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 55.97 55.25 1s62 s LYS 58 Cb -0.19 -0.55 -0.08 0.00 0.00 0.00 0.00 37.83 37.01 1s62 s LYS 58 CO -0.09 0.14 1.33 -2.14 0.00 0.00 0.00 175.35 174.60 1s62 s PRO 59 N -0.55 4.37 0.00 1.78 0.02 -1.26 -0.21 135.00 139.14 1s62 s PRO 59 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1s62 s PRO 59 Cb -0.05 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1s62 s PRO 59 CO 0.00 -0.32 0.00 0.39 -0.33 0.00 0.00 177.00 176.74 1s62 n GLU 60 N 3.26 0.00 -4.23 5.54 -0.58 0.10 -4.84 120.64 119.89 1s62 n GLU 60 Ca 0.08 0.01 -0.17 0.00 -0.42 0.00 0.00 57.16 56.66 1s62 n GLU 60 Cb 0.43 -0.20 -0.13 0.00 -0.57 0.00 0.00 31.44 30.97 1s62 n GLU 60 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1s62 s GLY 61 N -1.67 0.59 0.00 0.62 0.00 -1.19 -4.98 107.32 100.69 1s62 s GLY 61 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1s62 s GLY 61 CO 0.00 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.04 1s62 n GLY 62 N 2.01 0.74 3.63 0.20 0.00 -1.26 -0.03 105.19 110.48 1s62 n GLY 62 Ca -0.18 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 6.65 0.57 1.61 -1.08 0.79 -4.94 116.67 116.26 1s62 s ASP 63 Ca 0.00 0.80 0.27 0.00 -0.52 0.00 0.00 52.55 53.09 1s62 s ASP 63 Cb 0.00 -2.36 1.53 0.00 -1.46 0.00 0.00 42.92 40.63 1s62 s ASP 63 CO 0.00 -0.39 2.05 -0.65 0.52 0.00 0.00 175.17 176.70 1s62 h PRO 64 N 7.79 0.00 -0.31 4.34 0.11 -1.96 0.33 132.00 142.30 1s62 h PRO 64 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 1s62 h PRO 64 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1s62 h PRO 64 CO 0.79 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.34 1s62 h ALA 65 N 1.75 0.45 -0.62 -0.75 0.00 -1.97 0.27 119.26 118.38 1s62 h ALA 65 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1s62 h ALA 65 Cb 0.66 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1s62 h ALA 65 CO -0.00 0.43 0.34 1.25 0.00 0.00 0.00 179.25 181.27 1s62 h LEU 66 N 0.47 0.78 0.54 0.00 7.12 -1.35 -1.19 115.31 121.67 1s62 h LEU 66 Ca 0.06 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 57.95 1s62 h LEU 66 Cb 0.80 -0.20 0.01 0.00 -0.53 0.00 0.00 40.66 40.74 1s62 h LEU 66 CO 0.06 0.65 -0.26 0.00 -0.13 0.00 0.00 178.44 178.76 1s62 h GLN 68 N -0.88 1.05 -0.54 0.00 7.50 -0.38 0.28 115.11 122.14 1s62 h GLN 68 Ca -0.07 -0.10 -0.07 0.00 0.50 0.00 0.00 58.65 58.91 1s62 h GLN 68 Cb 0.61 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.90 1s62 h GLN 68 CO 0.12 0.75 0.06 0.00 -1.50 0.00 0.00 178.83 178.26 1s62 h ALA 69 N 1.43 0.72 -0.52 3.87 0.00 -1.23 -2.25 119.26 121.28 1s62 h ALA 69 Ca 0.27 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1s62 h ALA 69 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1s62 h ALA 69 CO -0.05 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.59 1s62 h ALA 70 N 0.98 0.85 -0.03 0.00 0.00 -0.63 -1.82 119.26 118.61 1s62 h ALA 70 Ca 0.16 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s62 h ALA 70 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1s62 h ALA 70 CO 0.02 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.75 1s62 h LEU 71 N 0.86 -0.29 -0.44 0.00 3.38 -0.19 0.34 115.31 118.96 1s62 h LEU 71 Ca 0.14 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1s62 h LEU 71 Cb 0.63 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1s62 h LEU 71 CO 0.04 -0.14 0.11 0.00 0.09 0.00 0.00 178.44 178.55 1s62 h ALA 72 N 0.84 0.57 -0.68 1.53 0.00 -1.37 -2.31 119.26 117.85 1s62 h ALA 72 Ca 0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1s62 h ALA 72 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1s62 h ALA 72 CO -0.12 0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.53 1s62 h ALA 73 N 0.97 0.90 -0.24 0.00 0.00 -1.07 -2.22 119.26 117.60 1s62 h ALA 73 Ca 0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1s62 h ALA 73 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s62 h ALA 73 CO -0.00 0.63 -0.17 0.00 0.00 0.00 0.00 179.25 179.71 1s62 h ALA 74 N 1.07 1.26 0.00 0.00 0.00 -0.21 0.34 119.26 121.72 1s62 h ALA 74 Ca 0.21 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1s62 h ALA 74 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1s62 h ALA 74 CO 0.01 0.49 -0.46 0.87 0.00 0.00 0.00 179.25 180.16 1s62 h LYS 75 N 0.38 0.00 0.03 0.00 1.57 -1.17 -3.15 116.57 114.24 1s62 h LYS 75 Ca 0.07 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.56 1s62 h LYS 75 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1s62 h LYS 75 CO 0.03 0.46 -1.62 -0.07 -0.57 0.00 0.00 179.45 177.68 1s62 h LEU 76 N 0.00 0.10-10.39 2.94 -0.00 -0.87 -3.48 115.31 103.61 1s62 h LEU 76 Ca -0.00 -0.18 -0.45 0.00 -0.00 0.00 0.00 57.88 57.24 1s62 h LEU 76 Cb 1.07 -0.03 0.16 0.00 -0.00 0.00 0.00 40.66 41.86 1s62 h LEU 76 CO 0.06 1.16 0.21 0.00 -0.00 0.00 0.00 178.44 179.87 1s62 s ALA 77 N -2.61 1.06 -0.33 1.53 0.00 0.12 -5.01 121.76 116.51 1s62 s ALA 77 Ca -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1s62 s ALA 77 Cb 0.08 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 20.20 1s62 s ALA 77 CO 0.82 -2.82 0.06 0.21 0.00 0.00 0.00 175.76 174.03 1s62 s LYS 78 N -5.07 2.22 -0.38 0.00 2.20 -1.26 -4.95 119.74 112.49 1s62 s LYS 78 Ca 0.66 -1.48 -0.11 0.00 -0.36 0.00 0.00 55.97 54.67 1s62 s LYS 78 Cb -0.17 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1s62 s LYS 78 CO 0.57 -0.77 0.22 0.42 -0.36 0.00 0.00 175.35 175.42 1s62 s ILE 79 N 1.19 4.68 0.62 5.43 1.09 -1.26 -4.97 121.20 127.97 1s62 s ILE 79 Ca -0.00 -0.81 -0.17 0.00 -1.10 0.00 0.00 60.65 58.57 1s62 s ILE 79 Cb -0.21 -3.60 -0.02 0.00 -1.06 0.00 0.00 42.46 37.57 1s62 s ILE 79 CO -0.03 -0.23 1.12 -2.84 -0.10 0.00 0.00 174.94 172.86 1s62 s PRO 80 N 1.57 2.99 0.04 2.79 0.02 -1.26 -4.85 135.00 136.30 1s62 s PRO 80 Ca 0.03 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 62.21 1s62 s PRO 80 Cb -0.19 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 1s62 s PRO 80 CO 0.07 -1.12 1.38 0.21 -0.33 0.00 0.00 177.00 177.21 1s62 s LYS 81 N -3.81 4.31 -0.30 5.54 2.20 -1.26 -4.89 119.74 121.53 1s62 s LYS 81 Ca 0.69 1.98 -0.35 0.00 -0.36 0.00 0.00 55.97 57.93 1s62 s LYS 81 Cb -0.22 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 1s62 s LYS 81 CO 0.36 -0.51 2.11 -2.30 -0.36 0.00 0.00 175.35 174.66 1s62 n PRO 82 N 4.83 1.30 0.21 4.03 -0.02 -1.26 -4.83 135.00 139.26 1s62 n PRO 82 Ca 0.12 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 1s62 n PRO 82 Cb 0.43 -2.51 0.26 0.00 -0.02 0.00 0.00 33.50 31.66 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 11.68 0.00 -5.86 0.52 0.13 -1.98 -3.43 132.00 133.06 1s62 h PRO 83 Ca -0.33 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.17 1s62 h PRO 83 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1s62 h PRO 83 CO 1.00 0.12 -0.39 -1.54 -0.23 0.00 0.00 178.00 176.96 1s62 s SER 84 N -6.17 6.50 0.34 1.44 1.04 -1.26 -4.99 113.70 110.59 1s62 s SER 84 Ca 0.05 0.58 0.16 0.00 0.48 0.00 0.00 55.95 57.21 1s62 s SER 84 Cb 0.07 -2.10 0.56 0.00 0.10 0.00 0.00 66.02 64.65 1s62 s SER 84 CO 0.66 0.29 1.69 1.56 0.98 0.00 0.00 173.24 178.42 1s62 h GLN 85 N 4.25 0.00 0.18 4.02 1.08 -1.98 0.03 115.11 122.69 1s62 h GLN 85 Ca -0.51 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.68 1s62 h GLN 85 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1s62 h GLN 85 CO 0.64 0.46 -0.09 0.00 -0.95 0.00 0.00 178.83 178.90 1s62 h ALA 86 N 1.54 -0.24 -0.38 3.87 0.00 -1.97 -0.54 119.26 121.53 1s62 h ALA 86 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1s62 h ALA 86 Cb 0.97 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1s62 h ALA 86 CO 0.06 -0.57 -0.21 0.28 0.00 0.00 0.00 179.25 178.81 1s62 h VAL 87 N -0.37 1.27 -0.25 0.00 2.07 -1.92 -2.24 116.25 114.81 1s62 h VAL 87 Ca -0.02 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.25 1s62 h VAL 87 Cb 0.29 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1s62 h VAL 87 CO 0.04 0.43 -0.12 0.22 0.02 0.00 0.00 177.57 178.17 1s62 h TYR 88 N 0.65 -0.28 0.00 1.57 5.03 -0.75 0.23 116.97 123.43 1s62 h TYR 88 Ca 0.09 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.30 1s62 h TYR 88 Cb 0.70 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 1s62 h TYR 88 CO 0.03 -0.18 -0.65 0.93 -1.32 0.00 0.00 178.16 176.97 1s62 h GLU 89 N -0.08 0.00 0.12 1.82 4.39 -1.02 -3.29 114.58 116.52 1s62 h GLU 89 Ca 0.13 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.53 1s62 h GLU 89 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1s62 h GLU 89 CO -0.31 0.65 -1.57 0.28 -1.16 0.00 0.00 179.01 176.91 1s62 h VAL 90 N 0.00 0.92 0.00 3.13 2.07 -1.10 -3.36 116.25 117.90 1s62 h VAL 90 Ca -0.01 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1s62 h VAL 90 Cb 1.42 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1s62 h VAL 90 CO 0.08 0.73 0.00 0.49 0.02 0.00 0.00 177.57 178.90 1s62 n PHE 91 N -3.83 0.00 0.11 1.57 3.01 0.80 -3.41 117.46 115.71 1s62 n PHE 91 Ca -0.27 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.33 1s62 n PHE 91 Cb 0.93 -0.04 0.65 0.00 -0.01 0.00 0.00 39.48 41.01 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 0.04 -0.75 -1.08 1.57 -1.72 -3.30 116.57 111.34 1s62 h LYS 92 Ca 0.00 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1s62 h LYS 92 Cb 0.04 -0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.17 1s62 h LYS 92 CO 0.00 0.03 -0.54 -1.71 -0.57 0.00 0.00 179.45 176.66 1s62 n ASN 93 N -4.46 -2.99 -4.19 0.86 4.05 -1.22 -1.09 115.26 106.21 1s62 n ASN 93 Ca 0.04 -3.02 -0.40 0.00 0.45 0.00 0.00 54.58 51.64 1s62 n ASN 93 Cb 0.35 1.59 -0.08 0.00 1.23 0.00 0.00 39.78 42.87 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 0.70 3.56 -0.54 5.20 0.00 -1.01 -4.95 121.76 124.72 1s62 s ALA 94 Ca 0.31 -2.90 -0.28 0.00 0.00 0.00 0.00 51.96 49.10 1s62 s ALA 94 Cb 0.09 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1s62 s ALA 94 CO -0.13 -2.03 1.57 -2.14 0.00 0.00 0.00 175.76 173.04 1s62 s PRO 95 N 0.70 3.15 -0.19 0.00 0.02 -1.26 -4.14 135.00 133.27 1s62 s PRO 95 Ca 0.11 0.62 -0.09 0.00 0.02 0.00 0.00 61.00 61.67 1s62 s PRO 95 Cb -0.21 -4.20 -0.05 0.00 0.02 0.00 0.00 34.50 30.06 1s62 s PRO 95 CO -0.03 -2.12 0.12 -1.17 -0.33 0.00 0.00 177.00 173.47 1s62 s LEU 96 N 6.89 4.13 -0.62 -5.54 2.96 -0.42 -4.84 118.68 121.23 1s62 s LEU 96 Ca 0.60 0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 54.44 1s62 s LEU 96 Cb -0.13 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1s62 s LEU 96 CO 0.25 0.19 1.53 -0.62 -1.32 0.00 0.00 176.35 176.38 1s62 s ASP 97 N 0.29 5.86 -0.18 3.68 2.15 -1.26 -0.79 116.67 126.42 1s62 s ASP 97 Ca 0.07 0.11 -0.29 0.00 0.43 0.00 0.00 52.55 52.87 1s62 s ASP 97 Cb -0.11 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 1s62 s ASP 97 CO -0.01 -1.96 1.54 0.12 -0.17 0.00 0.00 175.17 174.69 1s62 s PHE 98 N 6.94 2.24 -0.06 -5.34 5.36 0.14 -4.85 117.98 122.40 1s62 s PHE 98 Ca 0.53 0.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.07 1s62 s PHE 98 Cb -0.11 -3.88 0.02 0.00 -0.34 0.00 0.00 43.02 38.71 1s62 s PHE 98 CO 0.21 -2.87 -0.08 0.21 -1.46 0.00 0.00 175.22 171.24 1s62 s LYS 99 N 4.29 1.25 -0.33 10.12 2.20 -1.26 -1.59 119.74 134.41 1s62 s LYS 99 Ca 0.68 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.75 1s62 s LYS 99 Cb -0.26 -1.16 -0.13 0.00 -1.51 0.00 0.00 37.83 34.77 1s62 s LYS 99 CO 0.26 -0.07 1.10 -2.30 -0.36 0.00 0.00 175.35 173.98 1s62 n PRO 100 N 4.12 0.00 -1.85 4.03 -0.01 -1.26 -4.74 135.00 135.30 1s62 n PRO 100 Ca -0.22 0.00 -0.38 0.00 -0.01 0.00 0.00 63.50 62.89 1s62 n PRO 100 Cb 0.51 -0.99 0.03 0.00 -0.01 0.00 0.00 33.50 33.04 1s62 n PRO 100 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 175.50 172.11 1s62 s HIS 101 N 2.24 2.40 0.00 6.00 -3.43 -1.26 -4.98 115.29 116.26 1s62 s HIS 101 Ca 0.71 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 56.34 1s62 s HIS 101 Cb -0.99 -3.77 0.00 0.00 -1.43 0.00 0.00 32.58 26.39 1s62 s HIS 101 CO 0.53 -2.72 0.00 1.58 -2.00 0.00 0.00 174.74 172.13