#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 n LEU 1 N 0.00 0.00 0.11 0.99 7.99 -1.26 -4.87 117.00 119.95 1n02 n LEU 1 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 56.01 55.15 1n02 n LEU 1 Cb 0.00 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 42.47 1n02 n LEU 1 CO 0.00 -2.35 -0.01 0.61 -1.51 0.00 0.00 177.39 174.13 1n02 n GLY 2 N -4.35 -0.24 3.02 -0.72 0.00 -0.62 -4.94 105.19 97.34 1n02 n GLY 2 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1n02 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n02 n LYS 3 N -3.32 -1.43 -0.03 1.61 5.02 0.16 -4.65 118.16 115.52 1n02 n LYS 3 Ca 0.00 1.56 -0.20 0.00 -2.02 0.00 0.00 58.31 57.65 1n02 n LYS 3 Cb 0.01 -5.71 -0.14 0.00 -0.02 0.00 0.00 35.03 29.18 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1n02 n PHE 4 N -1.59 0.91 0.29 2.13 -1.74 -1.19 -4.13 117.46 112.15 1n02 n PHE 4 Ca 0.01 0.20 0.18 0.00 -0.56 0.00 0.00 57.45 57.28 1n02 n PHE 4 Cb 0.49 -1.12 0.88 0.00 1.52 0.00 0.00 39.48 41.25 1n02 n PHE 4 CO 0.00 0.00 0.00 0.97 -0.56 0.00 0.00 176.76 177.17 1n02 h ILE 5 N 0.05 0.00 0.00 1.97 6.09 -1.86 -0.77 117.51 122.99 1n02 h ILE 5 Ca -0.46 -0.14 -0.07 0.00 -1.37 0.00 0.00 64.86 62.83 1n02 h ILE 5 Cb 2.00 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 40.27 1n02 h ILE 5 CO 0.04 0.00 -0.32 -0.33 -3.07 0.00 0.00 178.15 174.47 1n02 h GLU 6 N 0.00 0.00 -0.04 2.19 5.08 -1.96 -3.19 114.58 116.65 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n02 h GLU 6 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1n02 h GLU 6 CO 0.00 0.32 0.00 0.25 -1.00 0.00 0.00 179.01 178.58 1n02 n THR 7 N -3.34 1.48 -4.19 1.13 -2.24 -0.41 -5.03 114.28 101.68 1n02 n THR 7 Ca 0.01 -1.62 -0.16 0.00 -2.27 0.00 0.00 64.05 60.01 1n02 n THR 7 Cb 0.54 0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 1n02 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n02 s ARG 9 N -2.55 1.63 -1.23 0.00 1.70 -0.66 -4.78 118.95 113.06 1n02 s ARG 9 Ca 0.05 -1.93 -0.15 0.00 -0.47 0.00 0.00 55.73 53.23 1n02 s ARG 9 Cb -0.05 -0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 33.93 1n02 s ARG 9 CO 0.01 -0.37 0.68 0.27 -1.08 0.00 0.00 175.30 174.81 1n02 n ASN 10 N -0.84 -3.64 -4.73 -2.89 6.94 -1.26 -2.78 115.26 106.05 1n02 n ASN 10 Ca -0.01 -1.03 -0.41 0.00 -0.02 0.00 0.00 54.58 53.11 1n02 n ASN 10 Cb 0.66 -3.20 -0.04 0.00 -2.36 0.00 0.00 39.78 34.84 1n02 n ASN 10 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1n02 s THR 11 N -3.62 4.49 0.20 5.53 -4.23 -1.26 -4.40 115.64 112.35 1n02 s THR 11 Ca 0.32 2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 62.64 1n02 s THR 11 Cb -0.12 -4.28 0.04 0.00 1.34 0.00 0.00 72.50 69.48 1n02 s THR 11 CO 0.87 0.28 0.59 0.00 -0.54 0.00 0.00 174.62 175.83 1n02 s GLN 12 N 0.18 1.43 -0.11 3.99 1.03 -0.98 -4.43 119.66 120.77 1n02 s GLN 12 Ca 0.48 -0.76 -0.11 0.00 0.04 0.00 0.00 55.36 55.02 1n02 s GLN 12 Cb -0.24 0.56 -0.05 0.00 0.03 0.00 0.00 33.01 33.32 1n02 s GLN 12 CO 0.30 -0.63 0.24 -1.17 -2.54 0.00 0.00 175.29 171.49 1n02 s LEU 13 N -2.84 4.35 0.05 2.60 2.96 -1.26 -1.43 118.68 123.11 1n02 s LEU 13 Ca 0.07 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 1n02 s LEU 13 Cb -0.02 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1n02 s LEU 13 CO -0.04 0.28 -0.25 0.00 -1.32 0.00 0.00 176.35 175.02 1n02 s ALA 14 N -0.50 2.30 0.00 5.97 0.00 0.38 -4.88 121.76 125.03 1n02 s ALA 14 Ca 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1n02 s ALA 14 Cb -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1n02 s ALA 14 CO 0.06 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1n02 n GLY 15 N 1.72 1.00 0.12 0.00 0.00 -1.26 -0.97 105.19 105.80 1n02 n GLY 15 Ca -0.17 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 1n02 n GLY 15 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n02 h SER 16 N 6.40 0.41 -0.22 1.61 0.02 -1.97 -3.41 113.55 116.39 1n02 h SER 16 Ca 0.00 -0.63 -0.21 0.00 -0.84 0.00 0.00 61.79 60.11 1n02 h SER 16 Cb 0.00 -0.13 -0.36 0.00 0.14 0.00 0.00 62.40 62.04 1n02 h SER 16 CO 0.00 1.54 -0.99 -1.54 -1.14 0.00 0.00 176.83 174.70 1n02 n SER 17 N -3.45 1.01 -4.52 3.07 3.41 -1.25 -4.72 113.62 107.16 1n02 n SER 17 Ca -0.20 -2.03 -0.30 0.00 -0.26 0.00 0.00 58.87 56.08 1n02 n SER 17 Cb 1.05 -0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.60 1n02 n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n02 s GLU 18 N -1.96 2.09 -0.14 4.33 8.01 -0.14 -0.29 118.70 130.60 1n02 s GLU 18 Ca 0.27 -1.00 0.02 0.00 0.01 0.00 0.00 54.97 54.26 1n02 s GLU 18 Cb 0.34 -2.25 0.01 0.00 -4.31 0.00 0.00 34.13 27.92 1n02 s GLU 18 CO -0.09 0.53 -0.20 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -1.82 2.04 0.02 1.80 2.96 0.17 0.14 118.68 123.99 1n02 s LEU 19 Ca 0.18 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1n02 s LEU 19 Cb -0.11 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 1n02 s LEU 19 CO 0.09 0.05 -0.24 0.00 -1.32 0.00 0.00 176.35 174.93 1n02 s ALA 20 N 0.95 2.07 0.28 5.97 0.00 -0.52 0.26 121.76 130.78 1n02 s ALA 20 Ca -0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 1n02 s ALA 20 Cb -0.15 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1n02 s ALA 20 CO -0.04 0.49 0.80 0.00 0.00 0.00 0.00 175.76 177.01 1n02 s ALA 21 N -0.72 -1.20 -0.11 0.00 0.00 0.26 -2.33 121.76 117.66 1n02 s ALA 21 Ca 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1n02 s ALA 21 Cb -0.10 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n02 s ALA 21 CO 0.01 -1.03 -0.09 -1.21 0.00 0.00 0.00 175.76 173.44 1n02 s GLU 22 N -3.32 3.19 -0.04 0.00 2.02 -1.12 0.52 118.70 119.96 1n02 s GLU 22 Ca 0.13 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1n02 s GLU 22 Cb -0.05 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.52 1n02 s GLU 22 CO 0.07 0.39 -0.11 0.00 0.02 0.00 0.00 175.26 175.63 1n02 s LYS 24 N 0.33 4.34 0.82 0.00 -2.85 -1.08 -2.60 119.74 118.70 1n02 s LYS 24 Ca -0.06 2.20 -0.09 0.00 -1.00 0.00 0.00 55.97 57.02 1n02 s LYS 24 Cb -0.11 -3.11 0.18 0.00 -2.06 0.00 0.00 37.83 32.73 1n02 s LYS 24 CO 0.01 -0.26 1.11 0.25 0.10 0.00 0.00 175.35 176.57 1n02 n THR 25 N 1.60 0.00 0.26 3.79 -2.24 0.27 -3.92 114.28 114.03 1n02 n THR 25 Ca 0.03 -1.18 0.08 0.00 -2.27 0.00 0.00 64.05 60.71 1n02 n THR 25 Cb 0.42 -1.26 0.63 0.00 -2.10 0.00 0.00 70.33 68.01 1n02 n THR 25 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1n02 h ARG 26 N 0.00 0.00 -0.09 -0.78 2.47 -1.88 -1.21 114.38 112.89 1n02 h ARG 26 Ca -0.36 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.36 1n02 h ARG 26 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1n02 h ARG 26 CO 0.31 0.03 0.00 0.00 0.56 0.00 0.00 179.97 180.87 1n02 n ALA 27 N -2.52 2.50 -3.07 0.04 0.00 -1.26 -4.87 120.51 111.32 1n02 n ALA 27 Ca -0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1n02 n ALA 27 Cb 0.12 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.59 1n02 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1n02 n GLN 28 N -0.25 -4.58 -5.23 0.00 6.02 -0.46 -5.03 117.38 107.86 1n02 n GLN 28 Ca 0.04 0.56 -0.32 0.00 -0.01 0.00 0.00 57.00 57.27 1n02 n GLN 28 Cb 0.09 -4.73 -0.16 0.00 1.02 0.00 0.00 30.24 26.46 1n02 n GLN 28 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1n02 s GLN 29 N -5.68 2.61 -0.19 -1.09 -1.52 -1.26 -4.87 119.66 107.67 1n02 s GLN 29 Ca 0.33 -0.89 -0.18 0.00 -1.95 0.00 0.00 55.36 52.67 1n02 s GLN 29 Cb -0.14 -2.20 -0.03 0.00 -0.22 0.00 0.00 33.01 30.41 1n02 s GLN 29 CO 0.40 0.37 0.49 -0.06 -0.25 0.00 0.00 175.29 176.24 1n02 s PHE 30 N -0.13 3.39 0.08 0.91 0.40 -1.26 0.95 117.98 122.31 1n02 s PHE 30 Ca -0.04 0.75 0.06 0.00 -0.60 0.00 0.00 56.93 57.09 1n02 s PHE 30 Cb -0.14 -2.63 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 1n02 s PHE 30 CO 0.04 -0.06 -0.15 0.14 0.70 0.00 0.00 175.22 175.89 1n02 s VAL 31 N 1.48 1.21 0.18 -0.44 -7.23 -1.07 -4.93 120.40 109.60 1n02 s VAL 31 Ca 0.23 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1n02 s VAL 31 Cb -0.15 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 1n02 s VAL 31 CO 0.09 -0.22 1.25 -0.94 -0.31 0.00 0.00 175.10 174.97 1n02 s SER 32 N -1.83 6.99 0.09 4.85 1.04 -1.26 -1.11 113.70 122.47 1n02 s SER 32 Ca 0.00 2.30 -0.04 0.00 0.48 0.00 0.00 55.95 58.70 1n02 s SER 32 Cb -0.09 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 1n02 s SER 32 CO 0.03 -0.46 0.09 0.28 0.98 0.00 0.00 173.24 174.15 1n02 s THR 33 N 0.10 0.15 0.05 2.02 -1.32 0.19 -4.91 115.64 111.92 1n02 s THR 33 Ca 0.55 -1.62 -0.05 0.00 -1.21 0.00 0.00 61.69 59.36 1n02 s THR 33 Cb -0.34 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.00 1n02 s THR 33 CO 0.37 -0.70 0.09 -0.75 -2.21 0.00 0.00 174.62 171.42 1n02 s LYS 34 N -3.94 0.62 -0.05 7.08 2.20 -1.26 -0.57 119.74 123.82 1n02 s LYS 34 Ca 0.12 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1n02 s LYS 34 Cb 0.06 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1n02 s LYS 34 CO -0.06 -0.16 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.27 1n02 s ILE 35 N -2.94 0.29 -0.27 5.43 1.10 0.14 -4.38 121.20 120.57 1n02 s ILE 35 Ca -0.02 0.10 -0.22 0.00 -0.51 0.00 0.00 60.65 60.00 1n02 s ILE 35 Cb 0.01 -0.41 -0.01 0.00 0.15 0.00 0.00 42.46 42.20 1n02 s ILE 35 CO -0.06 0.21 0.70 0.21 -2.11 0.00 0.00 174.94 173.89 1n02 s ASN 36 N 1.49 6.63 0.11 4.50 3.84 -1.26 -0.65 114.94 129.60 1n02 s ASN 36 Ca -0.03 0.72 0.24 0.00 0.21 0.00 0.00 52.86 54.00 1n02 s ASN 36 Cb -0.13 -2.37 0.32 0.00 -0.55 0.00 0.00 41.25 38.52 1n02 s ASN 36 CO -0.03 -0.46 1.29 0.18 -2.79 0.00 0.00 177.10 175.29 1n02 n LEU 37 N 5.89 0.68 -0.25 3.21 4.32 0.61 -3.79 117.00 127.67 1n02 n LEU 37 Ca 0.01 0.20 -0.02 0.00 -0.02 0.00 0.00 56.01 56.18 1n02 n LEU 37 Cb 0.48 -0.18 0.09 0.00 -1.62 0.00 0.00 43.42 42.20 1n02 n LEU 37 CO 0.46 -0.04 1.13 -2.24 -1.22 0.00 0.00 177.39 175.48 1n02 h ASP 38 N 0.00 0.67 0.38 -1.43 2.03 -1.47 1.04 116.42 117.63 1n02 h ASP 38 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1n02 h ASP 38 Cb 0.74 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1n02 h ASP 38 CO 0.00 0.45 -0.67 -0.90 -1.03 0.00 0.00 179.24 177.09 1n02 n ASP 39 N -4.71 0.64 -0.05 4.15 5.68 -1.26 -0.87 116.55 120.13 1n02 n ASP 39 Ca 0.08 -0.42 -0.05 0.00 -0.50 0.00 0.00 54.79 53.90 1n02 n ASP 39 Cb 0.12 0.48 -0.02 0.00 -1.14 0.00 0.00 41.12 40.57 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1n02 n HIS 40 N -1.56 0.11 -2.79 2.11 8.25 -0.88 -3.82 115.22 116.63 1n02 n HIS 40 Ca 0.05 0.05 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 1n02 n HIS 40 Cb 0.35 -0.34 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 1n02 n HIS 40 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1n02 s ILE 41 N -2.03 4.26 0.24 1.59 -1.09 0.35 -0.95 121.20 123.57 1n02 s ILE 41 Ca -0.15 1.74 0.01 0.00 -2.23 0.00 0.00 60.65 60.02 1n02 s ILE 41 Cb 0.02 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1n02 s ILE 41 CO 0.22 0.03 0.14 0.00 -1.23 0.00 0.00 174.94 174.10 1n02 s ALA 42 N -1.75 1.49 -0.29 9.38 0.00 0.31 -3.52 121.76 127.38 1n02 s ALA 42 Ca 0.53 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 1n02 s ALA 42 Cb -0.16 1.27 0.04 0.00 0.00 0.00 0.00 23.12 24.27 1n02 s ALA 42 CO 0.21 -0.55 0.01 1.21 0.00 0.00 0.00 175.76 176.65 1n02 s ASN 43 N -3.25 4.87 -0.52 0.00 2.47 -1.26 -1.34 114.94 115.90 1n02 s ASN 43 Ca 0.38 -1.09 -0.03 0.00 0.42 0.00 0.00 52.86 52.54 1n02 s ASN 43 Cb 0.07 -1.75 0.14 0.00 -1.45 0.00 0.00 41.25 38.25 1n02 s ASN 43 CO 0.15 -0.23 0.33 -0.63 -3.72 0.00 0.00 177.10 172.99 1n02 s ILE 44 N 1.33 3.52 -1.15 -5.21 1.09 0.41 -4.65 121.20 116.54 1n02 s ILE 44 Ca -0.02 -2.53 -0.06 0.00 -1.10 0.00 0.00 60.65 56.94 1n02 s ILE 44 Cb -0.19 -3.35 0.01 0.00 -1.06 0.00 0.00 42.46 37.87 1n02 s ILE 44 CO -0.01 -0.79 0.76 -0.67 -0.10 0.00 0.00 174.94 174.13 1n02 n ASP 45 N 4.02 -5.39 0.00 3.58 -0.08 -1.26 -2.28 116.55 115.13 1n02 n ASP 45 Ca 0.03 -0.35 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 1n02 n ASP 45 Cb 0.39 -4.09 0.00 0.00 2.34 0.00 0.00 41.12 39.76 1n02 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n02 n GLY 46 N -1.57 0.53 3.27 0.27 0.00 -1.03 -4.20 105.19 102.46 1n02 n GLY 46 Ca -0.03 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1n02 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n02 s THR 47 N -2.00 2.01 -0.24 2.61 2.01 -0.97 -4.53 115.64 114.53 1n02 s THR 47 Ca 0.00 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 1n02 s THR 47 Cb 0.00 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.82 1n02 s THR 47 CO 0.00 0.56 1.18 -0.76 -0.69 0.00 0.00 174.62 174.92 1n02 s LEU 48 N -0.26 4.04 0.11 4.42 1.43 -1.26 -0.44 118.68 126.71 1n02 s LEU 48 Ca -0.00 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1n02 s LEU 48 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.02 -0.84 0.02 -0.54 0.23 0.00 0.00 176.35 175.24 1n02 s LYS 49 N 3.62 0.85 -0.27 1.70 1.02 -0.45 -4.90 119.74 121.32 1n02 s LYS 49 Ca 0.51 -1.38 -0.24 0.00 0.02 0.00 0.00 55.97 54.87 1n02 s LYS 49 Cb -0.17 0.15 -0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1n02 s LYS 49 CO 0.15 -0.19 0.82 -1.58 -0.92 0.00 0.00 175.35 173.63 1n02 s TRP 50 N -3.94 3.27 -0.15 3.18 0.51 -1.26 0.11 118.94 120.66 1n02 s TRP 50 Ca 0.19 1.03 -0.30 0.00 -2.12 0.00 0.00 56.10 54.89 1n02 s TRP 50 Cb 0.07 -3.12 0.13 0.00 -0.81 0.00 0.00 33.47 29.74 1n02 s TRP 50 CO -0.02 -0.46 1.01 -0.65 -0.51 0.00 0.00 176.95 176.32 1n02 s GLN 51 N 2.90 0.58 -0.95 4.98 -0.21 -0.13 -4.87 119.66 121.96 1n02 s GLN 51 Ca 0.34 0.08 -0.07 0.00 0.02 0.00 0.00 55.36 55.73 1n02 s GLN 51 Cb -0.15 0.27 -0.06 0.00 1.00 0.00 0.00 33.01 34.07 1n02 s GLN 51 CO 0.09 -0.19 2.14 -0.35 -2.12 0.00 0.00 175.29 174.86 1n02 n PRO 52 N 0.58 2.14 -3.70 2.91 -0.04 -1.25 -3.94 135.00 131.70 1n02 n PRO 52 Ca -0.09 -1.54 -0.12 0.00 -0.04 0.00 0.00 63.50 61.72 1n02 n PRO 52 Cb 0.58 -2.51 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 1n02 n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n02 s SER 53 N 3.45 -0.55 -0.40 3.54 1.04 -1.25 -4.97 113.70 114.56 1n02 s SER 53 Ca 0.42 1.00 -0.28 0.00 0.48 0.00 0.00 55.95 57.57 1n02 s SER 53 Cb 0.11 0.95 0.02 0.00 0.10 0.00 0.00 66.02 67.21 1n02 s SER 53 CO -0.02 -0.18 1.07 0.54 0.98 0.00 0.00 173.24 175.62 1n02 s ASN 54 N 0.77 6.74 0.45 7.02 4.22 -0.05 -2.98 114.94 131.10 1n02 s ASN 54 Ca -0.04 0.67 0.20 0.00 -2.14 0.00 0.00 52.86 51.55 1n02 s ASN 54 Cb -0.05 -2.53 1.18 0.00 1.28 0.00 0.00 41.25 41.13 1n02 s ASN 54 CO -0.06 -1.04 1.89 2.19 -2.04 0.00 0.00 177.10 178.04 1n02 h PHE 55 N 8.68 0.39 -0.14 1.54 -0.00 -1.78 -1.08 116.94 124.55 1n02 h PHE 55 Ca -0.22 0.01 0.04 0.00 -0.00 0.00 0.00 57.97 57.80 1n02 h PHE 55 Cb 1.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.89 1n02 h PHE 55 CO 0.89 0.11 0.58 0.66 -0.00 0.00 0.00 178.31 180.56 1n02 h SER 56 N 0.30 0.00 0.15 -0.68 4.64 -1.86 0.16 113.55 116.25 1n02 h SER 56 Ca 0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1n02 h SER 56 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1n02 h SER 56 CO -0.12 0.00 -0.05 1.56 -0.87 0.00 0.00 176.83 177.35 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.60 -2.98 115.11 116.37 1n02 h GLN 57 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1n02 h GLN 57 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1n02 h GLN 57 CO -0.00 0.05 0.00 0.25 -0.95 0.00 0.00 178.83 178.18 1n02 n THR 58 N -3.79 0.00 -4.26 -0.54 -2.24 0.43 -5.07 114.28 98.81 1n02 n THR 58 Ca -0.03 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 1n02 n THR 58 Cb 0.15 1.30 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 1n02 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n02 s TYR 60 N -1.18 0.44 -1.09 0.00 -0.85 0.42 -4.58 117.35 110.51 1n02 s TYR 60 Ca 0.22 -0.92 -0.04 0.00 -0.52 0.00 0.00 57.07 55.81 1n02 s TYR 60 Cb -0.11 -0.33 0.00 0.00 0.38 0.00 0.00 41.96 41.90 1n02 s TYR 60 CO 0.13 -0.33 0.93 0.09 -1.52 0.00 0.00 175.55 174.85 1n02 n ASN 61 N 0.50 -3.84 -4.75 -0.18 4.13 -1.26 -2.73 115.26 107.14 1n02 n ASN 61 Ca -0.17 -0.49 -0.41 0.00 1.68 0.00 0.00 54.58 55.19 1n02 n ASN 61 Cb 0.59 -4.40 -0.03 0.00 -1.54 0.00 0.00 39.78 34.40 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1n02 s SER 62 N -3.73 6.94 0.03 6.41 0.01 -1.26 -4.24 113.70 117.87 1n02 s SER 62 Ca 0.24 2.43 -0.05 0.00 1.31 0.00 0.00 55.95 59.88 1n02 s SER 62 Cb -0.11 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1n02 s SER 62 CO 0.62 -0.45 0.09 0.00 0.41 0.00 0.00 173.24 173.91 1n02 s ALA 63 N -0.37 -0.08 -0.01 1.44 0.00 0.38 -4.94 121.76 118.19 1n02 s ALA 63 Ca 0.53 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1n02 s ALA 63 Cb -0.36 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1n02 s ALA 63 CO 0.42 -0.30 -0.12 0.42 0.00 0.00 0.00 175.76 176.18 1n02 s ILE 64 N -2.40 0.94 -0.21 0.00 1.01 -1.26 0.11 121.20 119.39 1n02 s ILE 64 Ca -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1n02 s ILE 64 Cb -0.02 -0.79 0.07 0.00 0.01 0.00 0.00 42.46 41.72 1n02 s ILE 64 CO -0.04 0.26 0.05 -1.10 0.00 0.00 0.00 174.94 174.11 1n02 s GLN 65 N -0.30 0.62 7.94 2.79 -0.21 -0.62 -4.57 119.66 125.30 1n02 s GLN 65 Ca 0.05 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1n02 s GLN 65 Cb -0.05 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1n02 s GLN 65 CO -0.00 -0.69 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 1n02 n GLY 66 N 5.05 3.49 0.54 3.09 0.00 -1.26 -2.24 105.19 113.85 1n02 n GLY 66 Ca -0.08 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1n02 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n02 n SER 67 N 9.07 2.07 -4.80 1.61 3.41 -1.26 -4.74 113.62 118.98 1n02 n SER 67 Ca 0.00 -1.53 -0.36 0.00 -0.26 0.00 0.00 58.87 56.71 1n02 n SER 67 Cb 0.00 0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1n02 n SER 67 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n02 s VAL 68 N -2.07 5.22 -0.24 -3.33 1.01 -0.95 -2.37 120.40 117.67 1n02 s VAL 68 Ca 0.18 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 1n02 s VAL 68 Cb 0.16 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1n02 s VAL 68 CO 0.43 0.58 0.14 -0.22 0.00 0.00 0.00 175.10 176.03 1n02 s LEU 69 N -0.67 4.01 -0.15 3.92 2.96 -0.51 -1.60 118.68 126.65 1n02 s LEU 69 Ca 0.13 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1n02 s LEU 69 Cb -0.12 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1n02 s LEU 69 CO 0.02 0.06 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.09 1n02 s THR 70 N 1.08 2.91 0.03 3.68 2.01 0.31 -2.81 115.64 122.84 1n02 s THR 70 Ca 0.07 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 1n02 s THR 70 Cb -0.14 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1n02 s THR 70 CO 0.04 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.30 1n02 s SER 71 N 0.69 -0.23 -0.20 3.53 0.15 -1.18 0.15 113.70 116.61 1n02 s SER 71 Ca -0.06 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.41 1n02 s SER 71 Cb -0.15 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO 0.02 -0.60 0.40 -0.89 1.20 0.00 0.00 173.24 173.37 1n02 s THR 72 N -2.21 5.20 0.06 6.45 2.01 -1.11 -1.63 115.64 124.41 1n02 s THR 72 Ca -0.07 0.71 0.06 0.00 0.31 0.00 0.00 61.69 62.70 1n02 s THR 72 Cb -0.02 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1n02 s THR 72 CO -0.01 0.26 -0.16 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.40 4.61 0.10 0.00 2.12 -0.62 0.10 118.70 123.63 1n02 s GLU 74 Ca 0.02 1.72 -0.13 0.00 0.36 0.00 0.00 54.97 56.95 1n02 s GLU 74 Cb -0.09 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1n02 s GLU 74 CO 0.02 0.12 0.49 1.03 -0.54 0.00 0.00 175.26 176.38 1n02 s ARG 75 N -0.61 3.92 0.55 4.30 0.52 -1.10 -2.48 118.95 124.06 1n02 s ARG 75 Ca 0.48 0.41 0.29 0.00 -0.52 0.00 0.00 55.73 56.39 1n02 s ARG 75 Cb -0.30 -3.01 1.46 0.00 0.52 0.00 0.00 34.95 33.63 1n02 s ARG 75 CO 0.36 0.54 1.91 1.15 0.02 0.00 0.00 175.30 179.28 1n02 h THR 76 N 2.98 0.52 -0.01 0.02 2.02 -1.93 0.62 112.91 117.13 1n02 h THR 76 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1n02 h THR 76 Cb 1.20 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1n02 h THR 76 CO 0.65 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.13 1n02 n ASN 77 N -4.10 0.13 0.00 4.18 3.02 -1.26 -4.98 115.26 112.25 1n02 n ASN 77 Ca 0.13 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1n02 n ASN 77 Cb 0.79 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n02 n GLY 78 N 0.91 -0.10 0.00 7.41 0.00 0.22 -5.12 105.19 108.51 1n02 n GLY 78 Ca 0.19 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1n02 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n02 n GLY 79 N 1.20 0.01 3.07 -0.02 0.00 -1.26 -4.69 105.19 103.50 1n02 n GLY 79 Ca 0.00 -2.28 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 1n02 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n02 s TYR 80 N 0.00 1.04 -0.21 1.61 2.02 -1.26 -2.71 117.35 117.85 1n02 s TYR 80 Ca 0.00 -0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1n02 s TYR 80 Cb 0.00 -0.66 0.06 0.00 -0.40 0.00 0.00 41.96 40.96 1n02 s TYR 80 CO 0.00 -0.01 0.52 1.21 -1.57 0.00 0.00 175.55 175.69 1n02 s ASN 81 N -0.43 -0.64 -0.09 2.29 2.47 0.29 -4.90 114.94 113.93 1n02 s ASN 81 Ca 0.04 1.10 -0.15 0.00 0.42 0.00 0.00 52.86 54.27 1n02 s ASN 81 Cb -0.05 1.02 -0.05 0.00 -1.45 0.00 0.00 41.25 40.72 1n02 s ASN 81 CO -0.00 -0.20 0.36 0.28 -3.72 0.00 0.00 177.10 173.82 1n02 s THR 82 N 1.17 5.19 0.23 -5.21 -1.32 -1.26 0.11 115.64 114.56 1n02 s THR 82 Ca -0.07 0.72 0.11 0.00 -1.21 0.00 0.00 61.69 61.24 1n02 s THR 82 Cb -0.06 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1n02 s THR 82 CO -0.11 0.46 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.62 1n02 s SER 83 N -0.19 3.31 0.04 8.08 1.04 -0.65 -4.92 113.70 120.40 1n02 s SER 83 Ca 0.21 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.76 1n02 s SER 83 Cb -0.15 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1n02 s SER 83 CO 0.09 0.02 -0.25 -0.94 0.98 0.00 0.00 173.24 173.14 1n02 s SER 84 N -3.18 3.04 -0.04 7.02 1.04 -1.26 -3.11 113.70 117.21 1n02 s SER 84 Ca 0.25 -0.57 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 1n02 s SER 84 Cb -0.05 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.80 1n02 s SER 84 CO 0.12 0.25 0.23 -0.51 0.98 0.00 0.00 173.24 174.30 1n02 s ILE 85 N -0.78 0.04 -0.26 -1.02 -1.16 -1.12 -4.93 121.20 111.97 1n02 s ILE 85 Ca 0.11 -0.33 -0.10 0.00 -0.51 0.00 0.00 60.65 59.82 1n02 s ILE 85 Cb -0.10 -0.44 -0.04 0.00 0.61 0.00 0.00 42.46 42.49 1n02 s ILE 85 CO 0.02 -0.18 0.15 -0.62 -2.81 0.00 0.00 174.94 171.50 1n02 s ASP 86 N -0.69 5.83 0.00 4.50 -1.08 -1.26 -1.42 116.67 122.55 1n02 s ASP 86 Ca -0.08 -0.02 0.19 0.00 -0.52 0.00 0.00 52.55 52.12 1n02 s ASP 86 Cb -0.04 -2.07 0.06 0.00 -1.46 0.00 0.00 42.92 39.41 1n02 s ASP 86 CO 0.02 -0.01 1.02 0.18 0.52 0.00 0.00 175.17 176.89 1n02 n LEU 87 N 4.80 2.13 -0.26 -1.34 4.77 -1.00 -4.59 117.00 121.50 1n02 n LEU 87 Ca -0.15 -0.86 0.33 0.00 -0.03 0.00 0.00 56.01 55.30 1n02 n LEU 87 Cb 0.52 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.26 1n02 n LEU 87 CO 0.33 0.38 1.30 -1.13 -1.33 0.00 0.00 177.39 176.95 1n02 h ASN 88 N 2.77 0.00 0.30 -1.43 -0.00 -1.88 0.21 115.58 115.56 1n02 h ASN 88 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 55.97 1n02 h ASN 88 Cb 0.71 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.05 1n02 h ASN 88 CO 0.00 0.00 -1.52 0.28 -0.00 0.00 0.00 177.43 176.19 1n02 h SER 89 N 0.00 0.73 0.06 1.15 0.02 -1.95 0.45 113.55 114.01 1n02 h SER 89 Ca 0.53 -0.85 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1n02 h SER 89 Cb 2.52 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.82 1n02 h SER 89 CO -0.01 1.68 -0.03 -0.37 -1.14 0.00 0.00 176.83 176.96 1n02 h VAL 90 N 0.13 1.22 -3.89 2.27 -1.51 -0.92 -1.64 116.25 111.90 1n02 h VAL 90 Ca -0.26 -1.55 -0.47 0.00 -1.23 0.00 0.00 66.70 63.20 1n02 h VAL 90 Cb 2.13 2.14 -0.02 0.00 -2.13 0.00 0.00 31.29 33.41 1n02 h VAL 90 CO 0.24 0.35 0.32 -0.63 -1.23 0.00 0.00 177.57 176.63 1n02 s ILE 91 N -3.02 4.28 0.17 7.19 1.09 -0.87 0.10 121.20 130.15 1n02 s ILE 91 Ca -0.14 1.71 0.01 0.00 -1.10 0.00 0.00 60.65 61.12 1n02 s ILE 91 Cb -0.01 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.44 1n02 s ILE 91 CO 0.55 0.05 0.04 -0.70 -0.10 0.00 0.00 174.94 174.78 1n02 s GLU 92 N -2.28 1.10 -0.50 2.79 2.12 0.29 -3.18 118.70 119.05 1n02 s GLU 92 Ca 0.52 -1.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.21 1n02 s GLU 92 Cb -0.16 -0.06 0.13 0.00 0.26 0.00 0.00 34.13 34.29 1n02 s GLU 92 CO 0.21 -0.22 0.39 1.21 -0.54 0.00 0.00 175.26 176.31 1n02 s ASN 93 N -3.15 5.79 -0.68 -1.70 2.47 -1.26 -0.31 114.94 116.09 1n02 s ASN 93 Ca 0.27 -1.96 -0.16 0.00 0.42 0.00 0.00 52.86 51.43 1n02 s ASN 93 Cb 0.07 -2.04 0.16 0.00 -1.45 0.00 0.00 41.25 37.99 1n02 s ASN 93 CO 0.05 -0.70 0.67 -0.69 -3.72 0.00 0.00 177.10 172.72 1n02 s VAL 94 N 1.29 5.28 -1.40 -5.21 1.01 0.11 -4.50 120.40 116.98 1n02 s VAL 94 Ca 0.06 -1.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.21 1n02 s VAL 94 Cb -0.26 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.69 1n02 s VAL 94 CO -0.01 -1.01 0.20 -0.67 0.00 0.00 0.00 175.10 173.61 1n02 n ASP 95 N 4.98 -4.91 0.00 3.32 2.03 -1.26 -1.89 116.55 118.82 1n02 n ASP 95 Ca -0.00 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1n02 n ASP 95 Cb 0.44 -4.08 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 1n02 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 96 N -1.07 1.32 2.83 0.27 0.00 -1.25 -4.61 105.19 102.68 1n02 n GLY 96 Ca -0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1n02 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n02 s SER 97 N -2.35 0.02 -0.12 1.61 0.01 -0.79 -4.51 113.70 107.58 1n02 s SER 97 Ca 0.00 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 1n02 s SER 97 Cb 0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 1n02 s SER 97 CO 0.00 -0.07 1.33 -0.76 0.41 0.00 0.00 173.24 174.16 1n02 s LEU 98 N 0.54 4.23 -0.11 2.44 1.43 -1.25 0.06 118.68 126.02 1n02 s LEU 98 Ca -0.04 1.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1n02 s LEU 98 Cb -0.06 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1n02 s LEU 98 CO -0.02 -0.76 -0.16 -0.54 0.23 0.00 0.00 176.35 175.10 1n02 s LYS 99 N 3.31 2.29 0.46 1.70 1.02 0.58 -4.80 119.74 124.30 1n02 s LYS 99 Ca 0.59 -0.59 -0.21 0.00 0.02 0.00 0.00 55.97 55.78 1n02 s LYS 99 Cb -0.25 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 1n02 s LYS 99 CO 0.19 -0.03 1.00 -0.47 -0.92 0.00 0.00 175.35 175.12 1n02 s TYR 100 N 0.88 3.14 0.00 3.18 6.14 -1.26 0.11 117.35 129.54 1n02 s TYR 100 Ca -0.09 1.60 0.00 0.00 0.64 0.00 0.00 57.07 59.22 1n02 s TYR 100 Cb -0.15 -2.98 0.00 0.00 0.42 0.00 0.00 41.96 39.25 1n02 s TYR 100 CO -0.00 -0.51 0.00 -1.91 0.64 0.00 0.00 175.55 173.77