#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 s LEU 1 N 0.00 2.75 0.56 0.99 1.43 -1.26 -5.02 118.68 118.13 1n02 s LEU 1 Ca 0.00 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 1n02 s LEU 1 Cb 0.00 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1n02 s LEU 1 CO 0.00 -2.10 1.31 -0.83 0.23 0.00 0.00 176.35 174.97 1n02 s GLY 2 N -4.70 2.86 -0.39 -3.19 0.00 -0.69 -4.99 107.32 96.22 1n02 s GLY 2 Ca 0.66 1.25 0.04 0.00 0.00 0.00 0.00 44.72 46.67 1n02 s GLY 2 CO 0.48 1.73 0.42 -1.59 0.00 0.00 0.00 173.10 174.14 1n02 s LYS 3 N -3.02 0.73 -0.16 2.90 -2.85 -1.13 -3.48 119.74 112.72 1n02 s LYS 3 Ca 0.74 -1.01 -0.05 0.00 -1.00 0.00 0.00 55.97 54.65 1n02 s LYS 3 Cb -0.38 -0.69 -0.23 0.00 -2.06 0.00 0.00 37.83 34.46 1n02 s LYS 3 CO 0.44 -1.23 0.19 1.97 0.10 0.00 0.00 175.35 176.82 1n02 n PHE 4 N 3.94 0.91 0.31 1.78 -1.74 -1.14 -4.16 117.46 117.36 1n02 n PHE 4 Ca 0.14 0.20 0.20 0.00 -0.56 0.00 0.00 57.45 57.43 1n02 n PHE 4 Cb 0.47 -1.12 0.96 0.00 1.52 0.00 0.00 39.48 41.32 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 0.00 0.00 0.00 1.97 6.09 -1.85 0.18 117.51 123.90 1n02 h ILE 5 Ca -0.47 -0.18 -0.11 0.00 -1.37 0.00 0.00 64.86 62.73 1n02 h ILE 5 Cb 1.97 1.13 -0.02 0.00 0.47 0.00 0.00 36.82 40.37 1n02 h ILE 5 CO 0.02 0.00 -0.52 -0.33 -3.07 0.00 0.00 178.15 174.25 1n02 h GLU 6 N 0.00 0.00 -0.05 2.19 4.39 -1.96 -3.23 114.58 115.92 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n02 h GLU 6 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1n02 h GLU 6 CO 0.00 0.52 0.00 0.25 -1.16 0.00 0.00 179.01 178.62 1n02 n THR 7 N -3.45 1.38 -4.28 1.13 -2.24 -0.50 -5.03 114.28 101.29 1n02 n THR 7 Ca 0.00 -1.48 -0.20 0.00 -2.27 0.00 0.00 64.05 60.10 1n02 n THR 7 Cb 0.64 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.50 1.59 -1.20 0.00 1.70 -0.29 -4.76 118.95 113.49 1n02 s ARG 9 Ca 0.10 -1.90 -0.17 0.00 -0.47 0.00 0.00 55.73 53.30 1n02 s ARG 9 Cb -0.07 -0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 33.94 1n02 s ARG 9 CO 0.04 -0.35 0.72 0.27 -1.08 0.00 0.00 175.30 174.90 1n02 n ASN 10 N -0.78 -4.19 -4.73 -2.89 0.23 -1.26 -2.23 115.26 99.41 1n02 n ASN 10 Ca -0.01 -1.01 -0.41 0.00 -0.53 0.00 0.00 54.58 52.62 1n02 n ASN 10 Cb 0.66 -3.32 -0.04 0.00 -2.08 0.00 0.00 39.78 34.99 1n02 n ASN 10 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n02 s THR 11 N -3.56 4.49 0.20 5.53 -4.23 -1.26 -4.24 115.64 112.57 1n02 s THR 11 Ca 0.37 2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 62.70 1n02 s THR 11 Cb -0.13 -4.30 0.05 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.87 0.30 0.61 0.00 -0.54 0.00 0.00 174.62 175.85 1n02 s GLN 12 N 0.10 1.44 -0.11 3.99 -2.07 -0.92 -4.44 119.66 117.64 1n02 s GLN 12 Ca 0.48 -0.71 -0.11 0.00 -1.82 0.00 0.00 55.36 53.20 1n02 s GLN 12 Cb -0.24 0.58 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1n02 s GLN 12 CO 0.30 -0.63 0.24 -1.17 -1.32 0.00 0.00 175.29 172.71 1n02 s LEU 13 N -2.83 4.35 0.05 2.60 2.96 -1.26 -1.30 118.68 123.26 1n02 s LEU 13 Ca 0.06 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 1n02 s LEU 13 Cb -0.02 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1n02 s LEU 13 CO -0.05 0.28 -0.26 0.00 -1.32 0.00 0.00 176.35 175.00 1n02 s ALA 14 N -0.49 2.29 0.00 5.97 0.00 0.41 -4.87 121.76 125.07 1n02 s ALA 14 Ca 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1n02 s ALA 14 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1n02 s ALA 14 CO 0.05 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1n02 n GLY 15 N 1.67 1.00 0.12 0.00 0.00 -1.26 -1.04 105.19 105.68 1n02 n GLY 15 Ca -0.17 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 6.39 0.43 -0.21 1.61 0.02 -1.97 -3.41 113.55 116.40 1n02 h SER 16 Ca 0.00 -0.67 -0.21 0.00 -0.84 0.00 0.00 61.79 60.07 1n02 h SER 16 Cb 0.00 -0.14 -0.37 0.00 0.14 0.00 0.00 62.40 62.03 1n02 h SER 16 CO 0.00 1.57 -1.00 -1.54 -1.14 0.00 0.00 176.83 174.72 1n02 n SER 17 N -3.47 1.04 -4.52 3.07 3.41 -1.25 -4.68 113.62 107.23 1n02 n SER 17 Ca -0.21 -2.02 -0.31 0.00 -0.26 0.00 0.00 58.87 56.07 1n02 n SER 17 Cb 1.05 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.88 2.13 -0.14 4.33 8.01 -0.20 -1.13 118.70 129.82 1n02 s GLU 18 Ca 0.27 -0.97 0.02 0.00 0.01 0.00 0.00 54.97 54.31 1n02 s GLU 18 Cb 0.34 -2.27 0.01 0.00 -4.31 0.00 0.00 34.13 27.91 1n02 s GLU 18 CO -0.10 0.53 -0.21 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -1.74 2.09 0.04 1.80 2.96 -0.27 0.16 118.68 123.72 1n02 s LEU 19 Ca 0.17 -0.60 0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1n02 s LEU 19 Cb -0.11 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 1n02 s LEU 19 CO 0.09 0.07 -0.24 0.00 -1.32 0.00 0.00 176.35 174.94 1n02 s ALA 20 N 0.88 2.07 0.28 5.97 0.00 -0.42 0.01 121.76 130.54 1n02 s ALA 20 Ca -0.06 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1n02 s ALA 20 Cb -0.15 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1n02 s ALA 20 CO -0.03 0.48 0.80 0.00 0.00 0.00 0.00 175.76 177.01 1n02 s ALA 21 N -0.80 -1.21 -0.12 0.00 0.00 0.55 -2.17 121.76 118.02 1n02 s ALA 21 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1n02 s ALA 21 Cb -0.10 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1n02 s ALA 21 CO 0.02 -1.03 -0.05 -1.21 0.00 0.00 0.00 175.76 173.49 1n02 s GLU 22 N -3.28 3.30 -0.04 0.00 2.02 -0.95 0.58 118.70 120.33 1n02 s GLU 22 Ca 0.13 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.61 1n02 s GLU 22 Cb -0.05 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.41 1n02 s GLU 22 CO 0.07 0.41 -0.11 0.00 0.02 0.00 0.00 175.26 175.66 1n02 s LYS 24 N 0.32 4.32 0.84 0.00 -2.85 -1.13 -2.34 119.74 118.89 1n02 s LYS 24 Ca -0.06 2.24 -0.08 0.00 -1.00 0.00 0.00 55.97 57.07 1n02 s LYS 24 Cb -0.11 -3.10 0.18 0.00 -2.06 0.00 0.00 37.83 32.74 1n02 s LYS 24 CO 0.01 -0.30 1.14 0.25 0.10 0.00 0.00 175.35 176.56 1n02 n THR 25 N 1.63 0.00 0.26 3.79 -2.24 0.33 -3.87 114.28 114.19 1n02 n THR 25 Ca 0.03 -1.24 0.08 0.00 -2.27 0.00 0.00 64.05 60.65 1n02 n THR 25 Cb 0.41 -1.22 0.63 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.17 -0.78 2.47 -1.88 -1.13 114.38 112.89 1n02 h ARG 26 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1n02 h ARG 26 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1n02 h ARG 26 CO 0.32 0.02 0.00 0.00 0.56 0.00 0.00 179.97 180.87 1n02 n ALA 27 N -2.53 2.49 -3.20 0.04 0.00 -1.26 -4.88 120.51 111.17 1n02 n ALA 27 Ca -0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1n02 n ALA 27 Cb 0.10 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.09 -5.15 -5.27 0.00 6.02 -0.43 -5.03 117.38 107.43 1n02 n GLN 28 Ca 0.05 0.55 -0.31 0.00 -0.01 0.00 0.00 57.00 57.27 1n02 n GLN 28 Cb 0.13 -4.73 -0.16 0.00 1.02 0.00 0.00 30.24 26.49 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 -5.84 2.49 -0.17 -1.09 -0.21 -1.25 -4.86 119.66 108.72 1n02 s GLN 29 Ca 0.38 -0.91 -0.18 0.00 0.02 0.00 0.00 55.36 54.67 1n02 s GLN 29 Cb -0.17 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1n02 s GLN 29 CO 0.47 0.41 0.49 -0.06 -2.12 0.00 0.00 175.29 174.47 1n02 s PHE 30 N -0.23 3.42 0.09 0.91 0.08 -1.26 0.12 117.98 121.11 1n02 s PHE 30 Ca -0.01 0.79 0.05 0.00 0.12 0.00 0.00 56.93 57.88 1n02 s PHE 30 Cb -0.13 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1n02 s PHE 30 CO 0.03 0.01 -0.13 0.14 -0.10 0.00 0.00 175.22 175.17 1n02 s VAL 31 N 1.23 1.11 0.17 -0.44 -7.23 -0.99 -4.92 120.40 109.33 1n02 s VAL 31 Ca 0.24 -1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1n02 s VAL 31 Cb -0.15 -1.24 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 1n02 s VAL 31 CO 0.10 -0.36 1.20 -0.55 -0.31 0.00 0.00 175.10 175.17 1n02 s SER 32 N -2.09 7.09 0.10 4.85 0.15 -1.26 -0.47 113.70 122.07 1n02 s SER 32 Ca 0.02 2.20 -0.07 0.00 0.70 0.00 0.00 55.95 58.80 1n02 s SER 32 Cb -0.07 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1n02 s SER 32 CO 0.02 -0.38 0.17 0.28 1.20 0.00 0.00 173.24 174.53 1n02 s THR 33 N 0.09 0.13 0.05 6.45 -1.32 0.19 -4.90 115.64 116.34 1n02 s THR 33 Ca 0.54 -1.36 -0.06 0.00 -1.21 0.00 0.00 61.69 59.60 1n02 s THR 33 Cb -0.32 -1.53 -0.01 0.00 -1.51 0.00 0.00 72.50 69.13 1n02 s THR 33 CO 0.35 -0.60 0.10 -0.75 -2.21 0.00 0.00 174.62 171.52 1n02 s LYS 34 N -3.91 0.67 -0.04 7.08 2.20 -1.26 -0.33 119.74 124.15 1n02 s LYS 34 Ca 0.09 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1n02 s LYS 34 Cb 0.05 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.65 1n02 s LYS 34 CO -0.07 -0.17 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.21 1n02 s ILE 35 N -3.18 0.45 -0.32 5.43 1.10 0.10 -4.42 121.20 120.35 1n02 s ILE 35 Ca -0.00 -0.07 -0.22 0.00 -0.51 0.00 0.00 60.65 59.85 1n02 s ILE 35 Cb 0.02 -0.49 -0.00 0.00 0.15 0.00 0.00 42.46 42.14 1n02 s ILE 35 CO -0.07 0.21 0.71 0.21 -2.11 0.00 0.00 174.94 173.89 1n02 s ASN 36 N 0.97 6.56 0.15 4.50 2.47 -1.26 -1.12 114.94 127.21 1n02 s ASN 36 Ca -0.10 0.46 0.24 0.00 0.42 0.00 0.00 52.86 53.88 1n02 s ASN 36 Cb -0.14 -2.37 0.33 0.00 -1.45 0.00 0.00 41.25 37.62 1n02 s ASN 36 CO -0.00 -0.59 1.33 -0.07 -3.72 0.00 0.00 177.10 174.05 1n02 h LEU 37 N 9.39 0.00 -0.47 3.21 4.07 -1.48 -3.32 115.31 126.72 1n02 h LEU 37 Ca -0.25 -0.15 0.07 0.00 0.08 0.00 0.00 57.88 57.62 1n02 h LEU 37 Cb 1.10 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 1n02 h LEU 37 CO 0.85 0.08 0.12 0.44 -1.08 0.00 0.00 178.44 178.85 1n02 h ASP 38 N 0.00 0.07 0.40 -0.43 5.19 -1.58 1.01 116.42 121.08 1n02 h ASP 38 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1n02 h ASP 38 Cb 0.80 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1n02 h ASP 38 CO 0.00 0.07 -0.63 0.47 -3.12 0.00 0.00 179.24 176.03 1n02 n ASP 39 N -5.07 0.61 -0.04 6.45 8.00 -1.26 -1.30 116.55 123.94 1n02 n ASP 39 Ca 0.05 -0.40 -0.04 0.00 0.71 0.00 0.00 54.79 55.11 1n02 n ASP 39 Cb 0.21 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.73 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1n02 n HIS 40 N -1.54 0.18 -2.94 1.24 8.25 -0.84 -3.60 115.22 115.98 1n02 n HIS 40 Ca 0.05 0.08 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 1n02 n HIS 40 Cb 0.34 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.85 4.46 0.23 1.59 1.09 0.34 -0.46 121.20 126.61 1n02 s ILE 41 Ca -0.12 1.39 -0.01 0.00 -1.10 0.00 0.00 60.65 60.81 1n02 s ILE 41 Cb 0.02 -3.74 -0.03 0.00 -1.06 0.00 0.00 42.46 37.64 1n02 s ILE 41 CO 0.18 -0.08 0.20 0.00 -0.10 0.00 0.00 174.94 175.13 1n02 s ALA 42 N -1.88 1.16 -0.28 9.38 0.00 0.31 -3.73 121.76 126.72 1n02 s ALA 42 Ca 0.54 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1n02 s ALA 42 Cb -0.13 1.37 0.03 0.00 0.00 0.00 0.00 23.12 24.39 1n02 s ALA 42 CO 0.18 -0.63 0.00 1.21 0.00 0.00 0.00 175.76 176.52 1n02 s ASN 43 N -3.19 4.76 -0.63 0.00 2.47 -1.26 -1.32 114.94 115.77 1n02 s ASN 43 Ca 0.38 -0.97 -0.02 0.00 0.42 0.00 0.00 52.86 52.67 1n02 s ASN 43 Cb 0.05 -1.75 0.16 0.00 -1.45 0.00 0.00 41.25 38.27 1n02 s ASN 43 CO 0.15 -0.20 0.44 -0.63 -3.72 0.00 0.00 177.10 173.14 1n02 s ILE 44 N 1.36 3.58 -0.76 -5.21 1.09 0.19 -4.68 121.20 116.77 1n02 s ILE 44 Ca -0.01 -3.11 -0.03 0.00 -1.10 0.00 0.00 60.65 56.40 1n02 s ILE 44 Cb -0.18 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.88 1n02 s ILE 44 CO -0.01 -0.88 0.44 -0.67 -0.10 0.00 0.00 174.94 173.72 1n02 n ASP 45 N 3.31 -4.06 0.00 3.58 -0.08 -1.26 -2.86 116.55 115.19 1n02 n ASP 45 Ca 0.09 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1n02 n ASP 45 Cb 0.37 -2.81 0.00 0.00 2.34 0.00 0.00 41.12 41.02 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 -1.20 0.83 3.47 0.27 0.00 -0.99 -4.10 105.19 103.47 1n02 n GLY 46 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.29 3.28 -0.26 2.61 2.01 -1.13 -4.55 115.64 114.30 1n02 s THR 47 Ca 0.00 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 1n02 s THR 47 Cb 0.00 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1n02 s THR 47 CO 0.00 0.56 1.21 -0.76 -0.69 0.00 0.00 174.62 174.94 1n02 s LEU 48 N -0.31 3.99 0.12 4.42 1.43 -1.26 -0.64 118.68 126.43 1n02 s LEU 48 Ca 0.03 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 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 0.03 -0.90 -0.00 -0.54 0.23 0.00 0.00 176.35 175.16 1n02 s LYS 49 N 3.76 0.89 -0.15 1.70 -0.14 -0.44 -4.92 119.74 120.44 1n02 s LYS 49 Ca 0.52 -1.40 -0.23 0.00 -1.36 0.00 0.00 55.97 53.50 1n02 s LYS 49 Cb -0.17 0.01 -0.02 0.00 -1.68 0.00 0.00 37.83 35.97 1n02 s LYS 49 CO 0.17 -0.15 0.73 -1.58 -0.76 0.00 0.00 175.35 173.77 1n02 s TRP 50 N -3.83 3.44 -0.25 3.18 0.51 -1.26 0.12 118.94 120.84 1n02 s TRP 50 Ca 0.18 1.14 -0.29 0.00 -2.12 0.00 0.00 56.10 55.01 1n02 s TRP 50 Cb 0.07 -2.89 0.17 0.00 -0.81 0.00 0.00 33.47 30.01 1n02 s TRP 50 CO -0.02 -0.14 1.26 -1.14 -0.51 0.00 0.00 176.95 176.40 1n02 s GLN 51 N 1.75 0.22 -0.68 4.98 0.74 0.39 -4.84 119.66 122.22 1n02 s GLN 51 Ca 0.35 0.07 -0.17 0.00 0.05 0.00 0.00 55.36 55.65 1n02 s GLN 51 Cb -0.17 0.10 -0.14 0.00 1.10 0.00 0.00 33.01 33.91 1n02 s GLN 51 CO 0.13 -0.06 1.88 -2.30 -0.55 0.00 0.00 175.29 174.39 1n02 n PRO 52 N 0.69 1.41 -3.66 1.67 -0.02 -1.24 -3.88 135.00 129.98 1n02 n PRO 52 Ca -0.04 -1.57 -0.09 0.00 -2.02 0.00 0.00 63.50 59.78 1n02 n PRO 52 Cb 0.58 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 1n02 n PRO 52 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n02 s SER 53 N 4.78 -0.77 -0.49 2.55 1.04 -1.25 -4.98 113.70 114.58 1n02 s SER 53 Ca 0.50 1.27 -0.28 0.00 0.48 0.00 0.00 55.95 57.92 1n02 s SER 53 Cb 0.12 1.17 0.03 0.00 0.10 0.00 0.00 66.02 67.44 1n02 s SER 53 CO 0.09 -0.22 1.12 0.20 0.98 0.00 0.00 173.24 175.41 1n02 s ASN 54 N 1.38 6.58 0.52 7.02 0.01 -0.42 -3.17 114.94 126.86 1n02 s ASN 54 Ca -0.08 0.36 0.33 0.00 -0.71 0.00 0.00 52.86 52.76 1n02 s ASN 54 Cb -0.06 -2.54 1.47 0.00 0.41 0.00 0.00 41.25 40.54 1n02 s ASN 54 CO -0.15 -1.27 1.80 2.19 -1.51 0.00 0.00 177.10 178.16 1n02 h PHE 55 N 9.27 0.12 0.00 2.20 -0.00 -1.78 -0.13 116.94 126.62 1n02 h PHE 55 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.74 1n02 h PHE 55 Cb 1.06 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.98 1n02 h PHE 55 CO 0.97 0.01 0.47 0.66 -0.00 0.00 0.00 178.31 180.42 1n02 h SER 56 N 0.07 0.00 0.09 -0.68 4.64 -1.87 0.20 113.55 115.99 1n02 h SER 56 Ca 0.57 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.87 1n02 h SER 56 Cb 2.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1n02 h SER 56 CO -0.07 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.36 1n02 h GLN 57 N 0.00 0.02 0.00 4.77 4.20 -1.42 -3.16 115.11 119.52 1n02 h GLN 57 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n02 h GLN 57 Cb 0.94 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1n02 h GLN 57 CO 0.00 0.12 0.00 0.25 -0.67 0.00 0.00 178.83 178.53 1n02 n THR 58 N -4.42 0.00 -4.15 -0.54 -2.24 -0.07 -5.06 114.28 97.81 1n02 n THR 58 Ca -0.02 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 1n02 n THR 58 Cb 0.18 1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.28 0.31 -1.08 0.00 1.13 0.10 -4.55 117.35 111.98 1n02 s TYR 60 Ca 0.25 -0.73 -0.04 0.00 -1.41 0.00 0.00 57.07 55.14 1n02 s TYR 60 Cb -0.12 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.53 1n02 s TYR 60 CO 0.17 -0.40 0.93 0.09 -2.51 0.00 0.00 175.55 173.82 1n02 n ASN 61 N 0.38 -4.17 -4.75 -0.18 4.13 -1.26 -2.87 115.26 106.53 1n02 n ASN 61 Ca -0.17 -0.48 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 1n02 n ASN 61 Cb 0.60 -4.31 -0.03 0.00 -1.54 0.00 0.00 39.78 34.51 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 -3.62 6.86 0.02 6.41 0.01 -1.26 -4.32 113.70 117.79 1n02 s SER 62 Ca 0.29 2.52 -0.04 0.00 1.31 0.00 0.00 55.95 60.03 1n02 s SER 62 Cb -0.13 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 1n02 s SER 62 CO 0.61 -0.52 0.06 0.00 0.41 0.00 0.00 173.24 173.79 1n02 s ALA 63 N -0.39 -0.04 -0.01 1.44 0.00 0.38 -4.94 121.76 118.20 1n02 s ALA 63 Ca 0.54 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1n02 s ALA 63 Cb -0.38 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1n02 s ALA 63 CO 0.44 -0.24 -0.14 0.42 0.00 0.00 0.00 175.76 176.24 1n02 s ILE 64 N -1.95 1.13 -0.22 0.00 1.01 -1.26 0.12 121.20 120.03 1n02 s ILE 64 Ca -0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1n02 s ILE 64 Cb -0.05 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.54 1n02 s ILE 64 CO -0.02 0.32 0.05 -1.10 0.00 0.00 0.00 174.94 174.19 1n02 s GLN 65 N -0.30 0.67 7.99 2.79 -0.21 -0.39 -4.56 119.66 125.65 1n02 s GLN 65 Ca 0.05 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1n02 s GLN 65 Cb -0.06 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1n02 s GLN 65 CO -0.00 -0.72 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 1n02 n GLY 66 N 5.01 3.63 0.57 3.09 0.00 -1.26 -2.05 105.19 114.18 1n02 n GLY 66 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 8.94 2.18 -4.79 1.61 3.41 -1.26 -4.75 113.62 118.96 1n02 n SER 67 Ca 0.00 -1.59 -0.36 0.00 -0.26 0.00 0.00 58.87 56.66 1n02 n SER 67 Cb 0.00 0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.40 4.96 -0.22 -3.33 1.01 -0.87 -1.92 120.40 117.63 1n02 s VAL 68 Ca 0.20 -0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 1n02 s VAL 68 Cb 0.18 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1n02 s VAL 68 CO 0.53 0.61 0.10 -0.22 0.00 0.00 0.00 175.10 176.12 1n02 s LEU 69 N -0.98 3.81 -0.16 3.92 2.96 -0.02 -1.27 118.68 126.95 1n02 s LEU 69 Ca 0.14 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1n02 s LEU 69 Cb -0.12 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1n02 s LEU 69 CO 0.03 0.08 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.12 1n02 s THR 70 N 0.94 2.84 0.03 3.68 2.01 0.33 -2.70 115.64 122.78 1n02 s THR 70 Ca 0.05 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1n02 s THR 70 Cb -0.14 -2.21 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1n02 s THR 70 CO 0.03 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.29 1n02 s SER 71 N 0.79 -0.24 -0.20 3.53 0.15 -1.18 0.14 113.70 116.70 1n02 s SER 71 Ca -0.05 -0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.45 1n02 s SER 71 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO 0.01 -0.60 0.34 -0.89 1.20 0.00 0.00 173.24 173.29 1n02 s THR 72 N -2.21 5.24 0.06 6.45 2.01 -1.14 -1.60 115.64 124.46 1n02 s THR 72 Ca -0.07 0.60 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1n02 s THR 72 Cb -0.02 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1n02 s THR 72 CO -0.01 0.29 -0.17 0.00 -0.69 0.00 0.00 174.62 174.04 1n02 s GLU 74 N -1.36 4.61 0.10 0.00 2.12 -0.69 0.90 118.70 124.38 1n02 s GLU 74 Ca 0.04 1.74 -0.13 0.00 0.36 0.00 0.00 54.97 56.98 1n02 s GLU 74 Cb -0.09 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 1n02 s GLU 74 CO 0.02 0.12 0.48 1.03 -0.54 0.00 0.00 175.26 176.37 1n02 s ARG 75 N -0.69 3.91 0.57 4.30 0.52 -1.10 -2.34 118.95 124.12 1n02 s ARG 75 Ca 0.48 0.39 0.29 0.00 -0.52 0.00 0.00 55.73 56.37 1n02 s ARG 75 Cb -0.30 -3.01 1.46 0.00 0.52 0.00 0.00 34.95 33.62 1n02 s ARG 75 CO 0.36 0.55 1.89 1.15 0.02 0.00 0.00 175.30 179.27 1n02 h THR 76 N 3.00 0.42 -0.02 0.02 2.02 -1.93 0.78 112.91 117.20 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 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1n02 h THR 76 CO 0.65 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.34 1n02 n ASN 77 N -3.88 0.38 0.00 4.18 2.85 -1.26 -4.99 115.26 112.54 1n02 n ASN 77 Ca 0.11 -1.28 0.00 0.00 -0.11 0.00 0.00 54.58 53.30 1n02 n ASN 77 Cb 0.76 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.77 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n02 n GLY 78 N 0.97 0.17 0.00 8.20 0.00 0.27 -5.12 105.19 109.68 1n02 n GLY 78 Ca 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 1.26 -0.18 3.05 -0.02 0.00 -1.26 -4.67 105.19 103.37 1n02 n GLY 79 Ca 0.00 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 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 0.83 -0.20 1.61 2.02 -1.26 -2.72 117.35 117.63 1n02 s TYR 80 Ca 0.00 -0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 1n02 s TYR 80 Cb 0.00 -0.51 0.06 0.00 -0.40 0.00 0.00 41.96 41.11 1n02 s TYR 80 CO 0.00 -0.01 0.51 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.65 -0.62 -0.09 2.29 2.47 0.26 -4.90 114.94 113.69 1n02 s ASN 81 Ca 0.00 1.08 -0.15 0.00 0.42 0.00 0.00 52.86 54.22 1n02 s ASN 81 Cb -0.05 1.00 -0.05 0.00 -1.45 0.00 0.00 41.25 40.69 1n02 s ASN 81 CO 0.00 -0.20 0.37 0.28 -3.72 0.00 0.00 177.10 173.84 1n02 s THR 82 N 1.12 5.18 0.25 -5.21 -1.32 -1.26 0.11 115.64 114.52 1n02 s THR 82 Ca -0.07 0.74 0.12 0.00 -1.21 0.00 0.00 61.69 61.27 1n02 s THR 82 Cb -0.06 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.19 1n02 s THR 82 CO -0.10 0.46 -0.21 -0.94 -2.21 0.00 0.00 174.62 171.61 1n02 s SER 83 N -0.16 3.56 0.01 8.08 1.04 -0.62 -4.93 113.70 120.68 1n02 s SER 83 Ca 0.22 -0.96 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1n02 s SER 83 Cb -0.15 -0.30 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 1n02 s SER 83 CO 0.09 0.07 -0.24 -0.44 0.98 0.00 0.00 173.24 173.70 1n02 s SER 84 N -3.19 2.89 -0.06 7.02 0.01 -1.26 -3.13 113.70 115.98 1n02 s SER 84 Ca 0.27 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 1n02 s SER 84 Cb -0.06 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1n02 s SER 84 CO 0.13 0.26 0.26 -0.51 0.41 0.00 0.00 173.24 173.80 1n02 s ILE 85 N -0.69 0.03 -0.26 1.44 -1.16 -1.10 -4.94 121.20 114.52 1n02 s ILE 85 Ca 0.10 -0.25 -0.10 0.00 -0.51 0.00 0.00 60.65 59.89 1n02 s ILE 85 Cb -0.09 -0.46 -0.05 0.00 0.61 0.00 0.00 42.46 42.46 1n02 s ILE 85 CO 0.01 -0.14 0.16 -0.62 -2.81 0.00 0.00 174.94 171.54 1n02 s ASP 86 N -0.53 5.89 0.00 4.50 -1.08 -1.26 -0.84 116.67 123.35 1n02 s ASP 86 Ca -0.06 -0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.18 1n02 s ASP 86 Cb -0.04 -2.08 0.05 0.00 -1.46 0.00 0.00 42.92 39.39 1n02 s ASP 86 CO 0.02 -0.02 1.12 0.18 0.52 0.00 0.00 175.17 176.99 1n02 n LEU 87 N 4.83 2.30 -0.22 -1.34 4.77 -0.81 -4.52 117.00 122.02 1n02 n LEU 87 Ca -0.15 -0.84 0.31 0.00 -0.03 0.00 0.00 56.01 55.30 1n02 n LEU 87 Cb 0.52 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.25 1n02 n LEU 87 CO 0.33 0.41 1.28 -1.13 -1.33 0.00 0.00 177.39 176.96 1n02 h ASN 88 N 3.09 0.00 0.20 -1.43 -0.00 -1.87 0.18 115.58 115.75 1n02 h ASN 88 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.30 56.03 1n02 h ASN 88 Cb 0.81 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.16 1n02 h ASN 88 CO 0.00 0.00 -1.17 0.28 -0.00 0.00 0.00 177.43 176.54 1n02 h SER 89 N 0.00 0.68 0.05 1.15 0.02 -1.79 -2.99 113.55 110.67 1n02 h SER 89 Ca 0.48 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1n02 h SER 89 Cb 2.40 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.72 1n02 h SER 89 CO -0.01 1.56 -0.02 -0.37 -1.14 0.00 0.00 176.83 176.85 1n02 h VAL 90 N -0.09 1.31 -3.87 2.27 -1.51 -0.93 -1.83 116.25 111.60 1n02 h VAL 90 Ca -0.20 -1.37 -0.47 0.00 -1.23 0.00 0.00 66.70 63.43 1n02 h VAL 90 Cb 1.92 2.18 -0.02 0.00 -2.13 0.00 0.00 31.29 33.24 1n02 h VAL 90 CO 0.22 0.33 0.27 -0.63 -1.23 0.00 0.00 177.57 176.53 1n02 s ILE 91 N -3.62 4.40 0.17 7.19 1.09 -0.83 0.80 121.20 130.40 1n02 s ILE 91 Ca -0.16 1.48 -0.00 0.00 -1.10 0.00 0.00 60.65 60.88 1n02 s ILE 91 Cb 0.00 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.59 1n02 s ILE 91 CO 0.62 -0.07 0.07 -0.70 -0.10 0.00 0.00 174.94 174.76 1n02 s GLU 92 N -2.59 1.07 -0.46 2.79 2.12 0.40 -2.89 118.70 119.13 1n02 s GLU 92 Ca 0.54 -1.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.25 1n02 s GLU 92 Cb -0.14 0.12 0.12 0.00 0.26 0.00 0.00 34.13 34.49 1n02 s GLU 92 CO 0.18 -0.27 0.33 1.21 -0.54 0.00 0.00 175.26 176.17 1n02 s ASN 93 N -3.12 5.65 -0.63 -1.70 2.47 -1.26 -0.60 114.94 115.74 1n02 s ASN 93 Ca 0.29 -1.94 -0.16 0.00 0.42 0.00 0.00 52.86 51.47 1n02 s ASN 93 Cb 0.07 -1.99 0.15 0.00 -1.45 0.00 0.00 41.25 38.03 1n02 s ASN 93 CO 0.06 -0.67 0.62 -0.69 -3.72 0.00 0.00 177.10 172.69 1n02 s VAL 94 N 1.32 5.24 -1.33 -5.21 1.01 0.84 -4.53 120.40 117.75 1n02 s VAL 94 Ca 0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 1n02 s VAL 94 Cb -0.26 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.74 1n02 s VAL 94 CO -0.01 -0.97 0.31 -0.67 0.00 0.00 0.00 175.10 173.76 1n02 n ASP 95 N 5.12 -4.60 0.00 3.32 2.03 -1.26 -1.84 116.55 119.33 1n02 n ASP 95 Ca -0.05 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1n02 n ASP 95 Cb 0.42 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.02 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 -1.13 1.30 2.88 0.27 0.00 -1.25 -4.65 105.19 102.62 1n02 n GLY 96 Ca -0.10 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.37 -0.03 -0.17 1.61 0.01 -0.76 -4.56 113.70 107.43 1n02 s SER 97 Ca 0.00 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 1n02 s SER 97 Cb 0.00 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 1n02 s SER 97 CO 0.00 -0.07 1.31 -0.76 0.41 0.00 0.00 173.24 174.13 1n02 s LEU 98 N 0.52 4.16 -0.04 2.44 1.43 -1.25 -0.11 118.68 125.82 1n02 s LEU 98 Ca -0.04 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1n02 s LEU 98 Cb -0.06 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.62 1n02 s LEU 98 CO -0.02 -0.82 -0.18 -0.54 0.23 0.00 0.00 176.35 175.02 1n02 s LYS 99 N 3.65 1.85 0.32 1.70 3.01 0.23 -4.80 119.74 125.69 1n02 s LYS 99 Ca 0.57 -0.64 -0.22 0.00 -1.01 0.00 0.00 55.97 54.67 1n02 s LYS 99 Cb -0.22 -1.61 -0.10 0.00 -1.01 0.00 0.00 37.83 34.89 1n02 s LYS 99 CO 0.17 0.27 0.86 -0.47 0.51 0.00 0.00 175.35 176.69 1n02 s TYR 100 N -0.02 3.56 0.00 3.18 6.14 -1.25 0.15 117.35 129.11 1n02 s TYR 100 Ca -0.03 1.57 0.00 0.00 0.64 0.00 0.00 57.07 59.25 1n02 s TYR 100 Cb -0.11 -2.78 0.00 0.00 0.42 0.00 0.00 41.96 39.49 1n02 s TYR 100 CO 0.02 0.16 0.30 -1.91 0.64 0.00 0.00 175.55 174.77