#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 h LEU 1 N 0.00 -0.61 0.00 0.99 -0.00 -1.97 -3.49 115.31 110.22 1n02 h LEU 1 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1n02 h LEU 1 Cb 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1n02 h LEU 1 CO 0.00 -0.20 0.00 0.61 -0.00 0.00 0.00 178.44 178.85 1n02 n GLY 2 N -0.08 3.02 2.86 0.83 0.00 -0.86 -4.64 105.19 106.32 1n02 n GLY 2 Ca -0.09 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 1n02 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n02 s LYS 3 N -1.94 0.88 -0.16 1.61 1.02 -1.01 -3.66 119.74 116.48 1n02 s LYS 3 Ca 0.00 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 55.03 1n02 s LYS 3 Cb 0.00 -0.32 -0.23 0.00 -0.52 0.00 0.00 37.83 36.76 1n02 s LYS 3 CO 0.00 -1.26 0.20 1.97 -0.92 0.00 0.00 175.35 175.34 1n02 n PHE 4 N 3.67 0.93 0.32 3.18 -1.74 -1.20 -4.14 117.46 118.47 1n02 n PHE 4 Ca 0.16 0.21 0.21 0.00 -0.56 0.00 0.00 57.45 57.47 1n02 n PHE 4 Cb 0.53 -1.12 1.05 0.00 1.52 0.00 0.00 39.48 41.46 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 -0.03 0.00 0.00 1.97 6.09 -1.86 0.39 117.51 124.07 1n02 h ILE 5 Ca -0.46 -0.15 -0.12 0.00 -1.37 0.00 0.00 64.86 62.75 1n02 h ILE 5 Cb 1.95 1.13 -0.02 0.00 0.47 0.00 0.00 36.82 40.36 1n02 h ILE 5 CO 0.02 0.00 -0.59 -0.33 -3.07 0.00 0.00 178.15 174.18 1n02 h GLU 6 N 0.00 0.00 -0.06 2.19 4.39 -1.97 -3.29 114.58 115.85 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 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1n02 h GLU 6 CO 0.00 0.59 0.00 0.25 -1.16 0.00 0.00 179.01 178.69 1n02 n THR 7 N -3.32 1.37 -4.25 1.13 -2.24 -0.31 -5.03 114.28 101.63 1n02 n THR 7 Ca 0.01 -1.46 -0.17 0.00 -2.27 0.00 0.00 64.05 60.16 1n02 n THR 7 Cb 0.74 0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.97 1.64 -1.19 0.00 1.70 -0.40 -4.75 118.95 112.98 1n02 s ARG 9 Ca 0.11 -1.94 -0.21 0.00 -0.47 0.00 0.00 55.73 53.23 1n02 s ARG 9 Cb -0.03 -0.53 0.00 0.00 -0.57 0.00 0.00 34.95 33.82 1n02 s ARG 9 CO 0.03 -0.32 0.72 0.27 -1.08 0.00 0.00 175.30 174.92 1n02 n ASN 10 N -0.81 -4.41 -4.72 -2.89 6.94 -1.26 -2.49 115.26 105.61 1n02 n ASN 10 Ca -0.02 -1.07 -0.41 0.00 -0.02 0.00 0.00 54.58 53.06 1n02 n ASN 10 Cb 0.66 -3.03 -0.04 0.00 -2.36 0.00 0.00 39.78 35.01 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 -3.55 4.52 0.19 5.53 -4.23 -1.26 -4.39 115.64 112.46 1n02 s THR 11 Ca 0.41 1.97 -0.19 0.00 -1.18 0.00 0.00 61.69 62.70 1n02 s THR 11 Cb -0.16 -4.26 0.04 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.89 0.24 0.56 0.00 -0.54 0.00 0.00 174.62 175.77 1n02 s GLN 12 N 0.39 1.39 -0.11 3.99 -2.07 -0.97 -4.41 119.66 117.86 1n02 s GLN 12 Ca 0.50 -0.76 -0.11 0.00 -1.82 0.00 0.00 55.36 53.17 1n02 s GLN 12 Cb -0.24 0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1n02 s GLN 12 CO 0.30 -0.60 0.24 -1.17 -1.32 0.00 0.00 175.29 172.73 1n02 s LEU 13 N -2.84 4.35 0.03 2.60 2.96 -1.26 -1.26 118.68 123.25 1n02 s LEU 13 Ca 0.07 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.62 1n02 s LEU 13 Cb -0.02 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n02 s LEU 13 CO -0.05 0.28 -0.23 0.00 -1.32 0.00 0.00 176.35 175.03 1n02 s ALA 14 N -0.47 2.35 0.00 5.97 0.00 0.42 -4.87 121.76 125.17 1n02 s ALA 14 Ca 0.16 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1n02 s ALA 14 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1n02 s ALA 14 CO 0.05 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1n02 n GLY 15 N 1.88 1.01 0.12 0.00 0.00 -1.26 -1.09 105.19 105.85 1n02 n GLY 15 Ca -0.17 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 7.50 0.36 -0.21 1.61 0.02 -1.96 -3.42 113.55 117.46 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 -0.12 -0.39 0.00 0.14 0.00 0.00 62.40 62.04 1n02 h SER 16 CO 0.00 1.54 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.64 1n02 n SER 17 N -3.41 1.20 -4.50 3.07 3.41 -1.25 -4.68 113.62 107.46 1n02 n SER 17 Ca -0.22 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.07 1n02 n SER 17 Cb 1.05 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.86 1.97 -0.14 4.33 8.01 -0.25 0.16 118.70 130.93 1n02 s GLU 18 Ca 0.30 -1.06 0.02 0.00 0.01 0.00 0.00 54.97 54.23 1n02 s GLU 18 Cb 0.35 -2.19 0.01 0.00 -4.31 0.00 0.00 34.13 28.00 1n02 s GLU 18 CO -0.10 0.51 -0.19 -1.17 0.01 0.00 0.00 175.26 174.32 1n02 s LEU 19 N -1.87 1.95 0.03 1.80 2.96 0.26 0.16 118.68 123.96 1n02 s LEU 19 Ca 0.17 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1n02 s LEU 19 Cb -0.11 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 1n02 s LEU 19 CO 0.09 0.03 -0.25 0.00 -1.32 0.00 0.00 176.35 174.90 1n02 s ALA 20 N 1.01 2.30 0.28 5.97 0.00 -0.39 0.11 121.76 131.05 1n02 s ALA 20 Ca -0.04 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 1n02 s ALA 20 Cb -0.15 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.47 1n02 s ALA 20 CO -0.04 0.54 0.78 0.00 0.00 0.00 0.00 175.76 177.04 1n02 s ALA 21 N -0.79 -1.18 -0.12 0.00 0.00 0.37 -2.30 121.76 117.74 1n02 s ALA 21 Ca 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1n02 s ALA 21 Cb -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n02 s ALA 21 CO 0.02 -1.03 -0.08 -1.21 0.00 0.00 0.00 175.76 173.46 1n02 s GLU 22 N -3.41 3.24 -0.04 0.00 2.02 -1.04 0.70 118.70 120.18 1n02 s GLU 22 Ca 0.13 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.55 1n02 s GLU 22 Cb -0.05 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1n02 s GLU 22 CO 0.07 0.38 -0.10 0.00 0.02 0.00 0.00 175.26 175.63 1n02 s LYS 24 N 0.32 4.34 0.79 0.00 -2.85 -1.15 -2.32 119.74 118.87 1n02 s LYS 24 Ca -0.06 2.20 -0.08 0.00 -1.00 0.00 0.00 55.97 57.03 1n02 s LYS 24 Cb -0.11 -3.11 0.17 0.00 -2.06 0.00 0.00 37.83 32.73 1n02 s LYS 24 CO 0.01 -0.26 1.08 0.25 0.10 0.00 0.00 175.35 176.53 1n02 n THR 25 N 1.62 0.00 0.25 3.79 -2.24 0.35 -3.95 114.28 114.11 1n02 n THR 25 Ca 0.03 -1.17 0.08 0.00 -2.27 0.00 0.00 64.05 60.73 1n02 n THR 25 Cb 0.42 -1.25 0.64 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.15 -0.78 3.08 -1.87 -1.51 114.38 113.15 1n02 h ARG 26 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1n02 h ARG 26 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1n02 h ARG 26 CO 0.30 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1n02 n ALA 27 N -2.49 2.49 -2.88 0.04 0.00 -1.26 -4.87 120.51 111.54 1n02 n ALA 27 Ca -0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1n02 n ALA 27 Cb 0.15 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.14 -3.83 -5.03 0.00 6.02 -0.57 -5.02 117.38 108.80 1n02 n GLN 28 Ca 0.04 0.61 -0.32 0.00 -0.01 0.00 0.00 57.00 57.31 1n02 n GLN 28 Cb 0.11 -4.86 -0.14 0.00 1.02 0.00 0.00 30.24 26.37 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 -5.46 2.56 -0.20 -1.09 -0.21 -1.26 -4.87 119.66 109.15 1n02 s GLN 29 Ca 0.25 -0.78 -0.16 0.00 0.02 0.00 0.00 55.36 54.69 1n02 s GLN 29 Cb -0.11 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 1n02 s GLN 29 CO 0.31 0.50 0.42 -0.06 -2.12 0.00 0.00 175.29 174.34 1n02 s PHE 30 N -0.44 3.38 0.08 0.91 0.40 -1.26 0.13 117.98 121.17 1n02 s PHE 30 Ca 0.05 0.65 0.05 0.00 -0.60 0.00 0.00 56.93 57.07 1n02 s PHE 30 Cb -0.12 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.84 1n02 s PHE 30 CO 0.02 -0.02 -0.14 0.14 0.70 0.00 0.00 175.22 175.92 1n02 s VAL 31 N 1.33 1.09 0.21 -0.44 -7.23 -0.98 -4.93 120.40 109.44 1n02 s VAL 31 Ca 0.20 -1.35 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1n02 s VAL 31 Cb -0.15 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.60 1n02 s VAL 31 CO 0.08 -0.27 1.19 -0.44 -0.31 0.00 0.00 175.10 175.36 1n02 s SER 32 N -1.84 7.09 0.09 4.85 0.01 -1.26 -0.49 113.70 122.15 1n02 s SER 32 Ca -0.01 2.27 -0.05 0.00 1.31 0.00 0.00 55.95 59.47 1n02 s SER 32 Cb -0.09 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1n02 s SER 32 CO 0.02 -0.35 0.11 0.28 0.41 0.00 0.00 173.24 173.70 1n02 s THR 33 N -0.26 0.15 0.05 1.44 -1.32 0.22 -4.89 115.64 111.04 1n02 s THR 33 Ca 0.52 -1.52 -0.03 0.00 -1.21 0.00 0.00 61.69 59.44 1n02 s THR 33 Cb -0.33 -1.56 -0.02 0.00 -1.51 0.00 0.00 72.50 69.08 1n02 s THR 33 CO 0.38 -0.70 0.03 -0.75 -2.21 0.00 0.00 174.62 171.37 1n02 s LYS 34 N -3.92 0.59 -0.04 7.08 2.20 -1.26 -0.48 119.74 123.91 1n02 s LYS 34 Ca 0.10 -0.98 -0.01 0.00 -0.36 0.00 0.00 55.97 54.73 1n02 s LYS 34 Cb 0.06 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1n02 s LYS 34 CO -0.08 -0.13 0.02 -1.50 -0.36 0.00 0.00 175.35 173.30 1n02 s ILE 35 N -3.22 0.08 -0.27 5.43 1.10 0.12 -4.35 121.20 120.09 1n02 s ILE 35 Ca 0.00 0.21 -0.22 0.00 -0.51 0.00 0.00 60.65 60.13 1n02 s ILE 35 Cb 0.03 -0.24 -0.01 0.00 0.15 0.00 0.00 42.46 42.39 1n02 s ILE 35 CO -0.07 0.16 0.71 0.21 -2.11 0.00 0.00 174.94 173.84 1n02 s ASN 36 N 1.48 6.65 0.11 4.50 3.84 -1.26 -0.57 114.94 129.68 1n02 s ASN 36 Ca -0.04 0.75 0.24 0.00 0.21 0.00 0.00 52.86 54.03 1n02 s ASN 36 Cb -0.13 -2.38 0.37 0.00 -0.55 0.00 0.00 41.25 38.57 1n02 s ASN 36 CO -0.03 -0.47 1.34 0.18 -2.79 0.00 0.00 177.10 175.33 1n02 n LEU 37 N 5.91 0.68 -0.24 3.21 4.32 0.12 -3.90 117.00 127.10 1n02 n LEU 37 Ca 0.02 0.22 -0.03 0.00 -0.02 0.00 0.00 56.01 56.20 1n02 n LEU 37 Cb 0.48 -0.19 0.08 0.00 -1.62 0.00 0.00 43.42 42.17 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 0.69 0.43 -1.43 2.03 -1.39 1.32 116.42 118.07 1n02 h ASP 38 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1n02 h ASP 38 Cb 0.73 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1n02 h ASP 38 CO 0.00 0.48 -0.67 -0.90 -1.03 0.00 0.00 179.24 177.12 1n02 n ASP 39 N -4.68 0.61 -0.09 4.15 5.68 -1.26 -1.48 116.55 119.49 1n02 n ASP 39 Ca 0.07 -0.35 -0.08 0.00 -0.50 0.00 0.00 54.79 53.93 1n02 n ASP 39 Cb 0.09 0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 40.49 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 -1.60 0.21 -2.86 2.11 8.25 -0.97 -3.74 115.22 116.62 1n02 n HIS 40 Ca 0.05 0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.24 1n02 n HIS 40 Cb 0.35 -0.57 -0.06 0.00 1.12 0.00 0.00 29.99 30.83 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 -2.75 4.34 0.22 1.59 -1.09 0.45 -0.42 121.20 123.53 1n02 s ILE 41 Ca -0.26 1.60 -0.00 0.00 -2.23 0.00 0.00 60.65 59.76 1n02 s ILE 41 Cb 0.04 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1n02 s ILE 41 CO 0.39 0.02 0.13 0.00 -1.23 0.00 0.00 174.94 174.24 1n02 s ALA 42 N -1.77 1.29 -0.32 9.38 0.00 0.31 -3.67 121.76 126.99 1n02 s ALA 42 Ca 0.52 -1.74 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 1n02 s ALA 42 Cb -0.15 1.33 0.05 0.00 0.00 0.00 0.00 23.12 24.35 1n02 s ALA 42 CO 0.20 -0.57 0.04 1.21 0.00 0.00 0.00 175.76 176.64 1n02 s ASN 43 N -3.19 5.04 -0.68 0.00 2.47 -1.26 -1.45 114.94 115.86 1n02 s ASN 43 Ca 0.39 -1.25 -0.05 0.00 0.42 0.00 0.00 52.86 52.37 1n02 s ASN 43 Cb 0.07 -1.77 0.18 0.00 -1.45 0.00 0.00 41.25 38.28 1n02 s ASN 43 CO 0.13 -0.29 0.53 -0.63 -3.72 0.00 0.00 177.10 173.11 1n02 s ILE 44 N 1.30 4.12 -0.79 -5.21 -1.09 0.70 -4.63 121.20 115.59 1n02 s ILE 44 Ca -0.04 -2.95 -0.05 0.00 -2.23 0.00 0.00 60.65 55.39 1n02 s ILE 44 Cb -0.20 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1n02 s ILE 44 CO 0.00 -0.92 0.64 -0.67 -1.23 0.00 0.00 174.94 172.76 1n02 n ASP 45 N 3.48 -4.49 0.00 3.58 -0.08 -1.26 -2.67 116.55 115.10 1n02 n ASP 45 Ca 0.10 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1n02 n ASP 45 Cb 0.39 -3.10 0.00 0.00 2.34 0.00 0.00 41.12 40.75 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 -1.35 0.73 3.41 0.27 0.00 -1.06 -4.27 105.19 102.92 1n02 n GLY 46 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.78 2.87 -0.29 2.61 2.01 -1.09 -4.54 115.64 114.42 1n02 s THR 47 Ca 0.00 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1n02 s THR 47 Cb 0.00 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1n02 s THR 47 CO 0.00 0.57 1.20 -0.76 -0.69 0.00 0.00 174.62 174.94 1n02 s LEU 48 N -0.33 3.94 0.13 4.42 1.43 -1.26 -0.22 118.68 126.79 1n02 s LEU 48 Ca 0.03 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 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 -0.96 -0.02 -0.54 0.23 0.00 0.00 176.35 175.09 1n02 s LYS 49 N 3.88 0.95 -0.18 1.70 -0.14 -0.53 -4.89 119.74 120.52 1n02 s LYS 49 Ca 0.51 -1.42 -0.24 0.00 -1.36 0.00 0.00 55.97 53.46 1n02 s LYS 49 Cb -0.15 -0.13 -0.02 0.00 -1.68 0.00 0.00 37.83 35.85 1n02 s LYS 49 CO 0.19 -0.11 0.76 -1.58 -0.76 0.00 0.00 175.35 173.85 1n02 s TRP 50 N -3.72 3.40 -0.18 3.18 0.51 -1.26 0.11 118.94 120.98 1n02 s TRP 50 Ca 0.18 1.14 -0.31 0.00 -2.12 0.00 0.00 56.10 55.00 1n02 s TRP 50 Cb 0.06 -2.94 0.14 0.00 -0.81 0.00 0.00 33.47 29.92 1n02 s TRP 50 CO -0.01 -0.22 1.10 -0.65 -0.51 0.00 0.00 176.95 176.67 1n02 s GLN 51 N 2.09 0.45 -1.03 4.98 -0.21 0.44 -4.84 119.66 121.53 1n02 s GLN 51 Ca 0.35 0.03 -0.11 0.00 0.02 0.00 0.00 55.36 55.65 1n02 s GLN 51 Cb -0.16 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.98 1n02 s GLN 51 CO 0.11 -0.16 2.20 -0.35 -2.12 0.00 0.00 175.29 174.97 1n02 n PRO 52 N 0.45 2.24 -3.67 2.91 -0.04 -1.25 -3.91 135.00 131.73 1n02 n PRO 52 Ca -0.06 -1.75 -0.11 0.00 -0.04 0.00 0.00 63.50 61.54 1n02 n PRO 52 Cb 0.59 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.28 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 3.60 -0.67 -0.49 3.54 1.04 -1.25 -4.98 113.70 114.49 1n02 s SER 53 Ca 0.49 1.19 -0.28 0.00 0.48 0.00 0.00 55.95 57.82 1n02 s SER 53 Cb 0.13 1.13 0.03 0.00 0.10 0.00 0.00 66.02 67.41 1n02 s SER 53 CO -0.01 -0.21 1.10 0.20 0.98 0.00 0.00 173.24 175.30 1n02 s ASN 54 N 0.91 6.58 0.53 7.02 0.01 -0.55 -3.17 114.94 126.27 1n02 s ASN 54 Ca -0.05 0.34 0.37 0.00 -0.71 0.00 0.00 52.86 52.81 1n02 s ASN 54 Cb -0.05 -2.53 1.54 0.00 0.41 0.00 0.00 41.25 40.62 1n02 s ASN 54 CO -0.08 -1.24 1.78 2.19 -1.51 0.00 0.00 177.10 178.24 1n02 h PHE 55 N 9.24 0.06 0.00 2.20 -5.15 -1.78 -0.30 116.94 121.20 1n02 h PHE 55 Ca -0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.54 1n02 h PHE 55 Cb 1.06 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1n02 h PHE 55 CO 0.96 -0.00 0.52 0.66 -2.00 0.00 0.00 178.31 178.45 1n02 h SER 56 N 0.03 0.00 0.07 -0.68 4.64 -1.89 0.22 113.55 115.94 1n02 h SER 56 Ca 0.61 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.92 1n02 h SER 56 Cb 2.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.45 1n02 h SER 56 CO -0.04 0.00 -0.05 1.56 -0.87 0.00 0.00 176.83 177.43 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.46 -3.12 115.11 119.50 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 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1n02 h GLN 57 CO 0.00 0.05 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 1n02 n THR 58 N -4.20 0.06 -4.23 -0.54 -2.24 -0.01 -5.07 114.28 98.05 1n02 n THR 58 Ca -0.03 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1n02 n THR 58 Cb 0.13 1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.21 0.35 -1.00 0.00 1.13 0.18 -4.60 117.35 112.20 1n02 s TYR 60 Ca 0.22 -0.77 -0.02 0.00 -1.41 0.00 0.00 57.07 55.09 1n02 s TYR 60 Cb -0.11 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.49 1n02 s TYR 60 CO 0.14 -0.35 0.84 0.09 -2.51 0.00 0.00 175.55 173.77 1n02 n ASN 61 N 0.58 -3.00 -4.74 -0.18 3.02 -1.26 -2.82 115.26 106.85 1n02 n ASN 61 Ca -0.17 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.48 1n02 n ASN 61 Cb 0.59 -4.19 -0.03 0.00 -0.61 0.00 0.00 39.78 35.54 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1n02 s SER 62 N -3.86 6.92 0.02 6.41 0.01 -1.26 -4.28 113.70 117.66 1n02 s SER 62 Ca 0.13 2.39 -0.03 0.00 1.31 0.00 0.00 55.95 59.76 1n02 s SER 62 Cb -0.06 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1n02 s SER 62 CO 0.58 -0.50 0.03 0.00 0.41 0.00 0.00 173.24 173.76 1n02 s ALA 63 N -0.00 0.04 -0.02 1.44 0.00 0.40 -4.95 121.76 118.66 1n02 s ALA 63 Ca 0.56 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1n02 s ALA 63 Cb -0.36 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n02 s ALA 63 CO 0.39 -0.23 -0.14 0.42 0.00 0.00 0.00 175.76 176.20 1n02 s ILE 64 N -1.97 1.13 -0.24 0.00 1.01 -1.26 0.12 121.20 120.00 1n02 s ILE 64 Ca -0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1n02 s ILE 64 Cb -0.06 -0.96 0.07 0.00 0.01 0.00 0.00 42.46 41.53 1n02 s ILE 64 CO -0.02 0.33 0.06 -1.10 0.00 0.00 0.00 174.94 174.20 1n02 s GLN 65 N -0.14 0.69 7.82 2.79 -1.52 -0.67 -4.56 119.66 124.07 1n02 s GLN 65 Ca 0.02 -0.64 0.00 0.00 -1.95 0.00 0.00 55.36 52.78 1n02 s GLN 65 Cb -0.08 -2.03 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 1n02 s GLN 65 CO 0.00 -0.77 0.00 0.41 -0.25 0.00 0.00 175.29 174.69 1n02 n GLY 66 N 4.99 3.15 0.52 3.09 0.00 -1.26 -2.40 105.19 113.28 1n02 n GLY 66 Ca -0.07 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 8.42 2.06 -4.82 1.61 3.41 -1.26 -4.74 113.62 118.29 1n02 n SER 67 Ca 0.00 -1.52 -0.36 0.00 -0.26 0.00 0.00 58.87 56.72 1n02 n SER 67 Cb 0.00 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.44 5.15 -0.22 -3.33 1.01 -1.01 -1.95 120.40 117.61 1n02 s VAL 68 Ca 0.20 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1n02 s VAL 68 Cb 0.18 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1n02 s VAL 68 CO 0.55 0.59 0.11 -0.22 0.00 0.00 0.00 175.10 176.12 1n02 s LEU 69 N -1.06 3.88 -0.16 3.92 2.96 -0.40 -1.67 118.68 126.14 1n02 s LEU 69 Ca 0.15 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 1n02 s LEU 69 Cb -0.12 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 1n02 s LEU 69 CO 0.05 0.09 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.13 1n02 s THR 70 N 0.88 2.72 0.03 3.68 2.01 0.33 -2.75 115.64 122.54 1n02 s THR 70 Ca 0.05 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1n02 s THR 70 Cb -0.13 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.25 1n02 s THR 70 CO 0.03 0.51 0.38 -0.55 -0.69 0.00 0.00 174.62 174.30 1n02 s SER 71 N 0.83 -0.25 -0.19 3.53 0.15 -1.18 0.15 113.70 116.75 1n02 s SER 71 Ca -0.05 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 1n02 s SER 71 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1n02 s SER 71 CO -0.00 -0.61 0.36 -0.89 1.20 0.00 0.00 173.24 173.30 1n02 s THR 72 N -2.20 5.23 0.04 6.45 2.01 -1.13 -1.54 115.64 124.50 1n02 s THR 72 Ca -0.07 0.65 0.07 0.00 0.31 0.00 0.00 61.69 62.64 1n02 s THR 72 Cb -0.02 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1n02 s THR 72 CO -0.01 0.29 -0.19 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.16 4.58 0.08 0.00 2.12 0.23 0.98 118.70 125.52 1n02 s GLU 74 Ca 0.06 1.78 -0.11 0.00 0.36 0.00 0.00 54.97 57.05 1n02 s GLU 74 Cb -0.09 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 1n02 s GLU 74 CO 0.02 0.06 0.43 1.03 -0.54 0.00 0.00 175.26 176.26 1n02 s ARG 75 N -0.59 3.83 0.55 4.30 0.52 -1.01 -2.55 118.95 124.01 1n02 s ARG 75 Ca 0.49 0.28 0.30 0.00 -0.52 0.00 0.00 55.73 56.27 1n02 s ARG 75 Cb -0.31 -3.01 1.46 0.00 0.52 0.00 0.00 34.95 33.61 1n02 s ARG 75 CO 0.37 0.56 1.91 1.15 0.02 0.00 0.00 175.30 179.31 1n02 h THR 76 N 2.97 0.53 -0.02 0.02 2.02 -1.93 0.73 112.91 117.23 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 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1n02 h THR 76 CO 0.66 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.35 1n02 n ASN 77 N -4.13 0.41 0.00 4.18 5.15 -1.26 -4.99 115.26 114.63 1n02 n ASN 77 Ca 0.14 -1.28 0.00 0.00 -0.60 0.00 0.00 54.58 52.84 1n02 n ASN 77 Cb 0.82 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.06 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n02 n GLY 78 N 0.98 -0.04 0.00 8.20 0.00 0.25 -5.13 105.19 109.45 1n02 n GLY 78 Ca 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 1.12 -0.22 3.13 -0.02 0.00 -1.26 -4.68 105.19 103.26 1n02 n GLY 79 Ca 0.00 -2.26 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.09 1.25 -0.20 1.61 2.02 -1.26 -2.41 117.35 118.27 1n02 s TYR 80 Ca 0.00 -0.30 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 1n02 s TYR 80 Cb 0.00 -0.77 0.06 0.00 -0.40 0.00 0.00 41.96 40.85 1n02 s TYR 80 CO 0.00 0.01 0.49 1.21 -1.57 0.00 0.00 175.55 175.69 1n02 s ASN 81 N -0.77 -0.63 -0.06 2.29 2.47 0.28 -4.91 114.94 113.60 1n02 s ASN 81 Ca 0.04 1.06 -0.16 0.00 0.42 0.00 0.00 52.86 54.21 1n02 s ASN 81 Cb -0.07 0.94 -0.05 0.00 -1.45 0.00 0.00 41.25 40.62 1n02 s ASN 81 CO 0.00 -0.21 0.44 0.28 -3.72 0.00 0.00 177.10 173.90 1n02 s THR 82 N 1.45 5.10 0.22 -5.21 -1.32 -1.26 0.11 115.64 114.74 1n02 s THR 82 Ca -0.10 0.88 0.10 0.00 -1.21 0.00 0.00 61.69 61.37 1n02 s THR 82 Cb -0.07 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.11 1n02 s THR 82 CO -0.15 0.45 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.58 1n02 s SER 83 N -0.22 3.19 0.05 8.08 1.04 -0.59 -4.92 113.70 120.32 1n02 s SER 83 Ca 0.24 -0.96 0.08 0.00 0.48 0.00 0.00 55.95 55.79 1n02 s SER 83 Cb -0.16 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1n02 s SER 83 CO 0.12 0.00 -0.22 -0.94 0.98 0.00 0.00 173.24 173.18 1n02 s SER 84 N -3.12 2.62 -0.06 7.02 1.04 -1.26 -3.10 113.70 116.83 1n02 s SER 84 Ca 0.24 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 1n02 s SER 84 Cb -0.05 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1n02 s SER 84 CO 0.11 0.17 0.22 -0.51 0.98 0.00 0.00 173.24 174.21 1n02 s ILE 85 N -0.82 0.02 -0.30 -1.02 2.07 -1.11 -4.92 121.20 115.12 1n02 s ILE 85 Ca 0.08 -0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 59.01 1n02 s ILE 85 Cb -0.09 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.10 1n02 s ILE 85 CO 0.02 -0.10 0.35 -0.62 -1.91 0.00 0.00 174.94 172.68 1n02 s ASP 86 N -0.30 6.19 0.00 4.50 -1.08 -1.26 -1.28 116.67 123.45 1n02 s ASP 86 Ca -0.04 0.06 0.23 0.00 -0.52 0.00 0.00 52.55 52.28 1n02 s ASP 86 Cb -0.03 -2.19 0.10 0.00 -1.46 0.00 0.00 42.92 39.34 1n02 s ASP 86 CO 0.01 -0.22 1.15 0.18 0.52 0.00 0.00 175.17 176.80 1n02 n LEU 87 N 5.32 1.42 -0.37 -1.34 4.77 -0.82 -4.47 117.00 121.52 1n02 n LEU 87 Ca -0.09 -0.53 0.38 0.00 -0.03 0.00 0.00 56.01 55.73 1n02 n LEU 87 Cb 0.50 -0.04 0.72 0.00 -2.33 0.00 0.00 43.42 42.27 1n02 n LEU 87 CO 0.38 0.29 1.35 -1.13 -1.33 0.00 0.00 177.39 176.94 1n02 h ASN 88 N 1.30 0.00 0.24 -1.43 -0.00 -1.87 0.30 115.58 114.12 1n02 h ASN 88 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.98 1n02 h ASN 88 Cb 0.62 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 38.97 1n02 h ASN 88 CO 0.00 0.00 -1.42 0.28 -0.00 0.00 0.00 177.43 176.29 1n02 h SER 89 N 0.00 0.78 0.03 1.15 0.02 -1.78 -2.68 113.55 111.06 1n02 h SER 89 Ca 0.62 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1n02 h SER 89 Cb 2.68 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.96 1n02 h SER 89 CO -0.01 1.68 -0.01 -0.37 -1.14 0.00 0.00 176.83 176.98 1n02 h VAL 90 N 0.07 1.39 -3.81 2.27 -1.51 -0.72 -2.28 116.25 111.66 1n02 h VAL 90 Ca -0.25 -1.43 -0.48 0.00 -1.23 0.00 0.00 66.70 63.30 1n02 h VAL 90 Cb 2.09 2.33 -0.02 0.00 -2.13 0.00 0.00 31.29 33.56 1n02 h VAL 90 CO 0.25 0.36 0.22 -0.63 -1.23 0.00 0.00 177.57 176.54 1n02 s ILE 91 N -3.61 4.47 0.16 7.19 1.09 -0.53 -3.91 121.20 126.06 1n02 s ILE 91 Ca -0.16 1.37 -0.01 0.00 -1.10 0.00 0.00 60.65 60.76 1n02 s ILE 91 Cb 0.00 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1n02 s ILE 91 CO 0.64 -0.05 0.07 -0.70 -0.10 0.00 0.00 174.94 174.81 1n02 s GLU 92 N -2.57 1.06 -0.46 2.79 2.12 0.40 -3.26 118.70 118.77 1n02 s GLU 92 Ca 0.53 -1.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.25 1n02 s GLU 92 Cb -0.13 0.15 0.12 0.00 0.26 0.00 0.00 34.13 34.53 1n02 s GLU 92 CO 0.19 -0.28 0.32 1.21 -0.54 0.00 0.00 175.26 176.16 1n02 s ASN 93 N -3.11 5.62 -0.64 -1.70 2.47 -1.26 -0.48 114.94 115.84 1n02 s ASN 93 Ca 0.29 -1.95 -0.16 0.00 0.42 0.00 0.00 52.86 51.47 1n02 s ASN 93 Cb 0.07 -1.98 0.15 0.00 -1.45 0.00 0.00 41.25 38.05 1n02 s ASN 93 CO 0.06 -0.67 0.62 -0.69 -3.72 0.00 0.00 177.10 172.70 1n02 s VAL 94 N 1.31 5.27 -1.29 -5.21 1.01 0.81 -4.53 120.40 117.77 1n02 s VAL 94 Ca 0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 61.98 60.26 1n02 s VAL 94 Cb -0.26 -4.40 0.03 0.00 0.00 0.00 0.00 36.38 31.76 1n02 s VAL 94 CO -0.01 -0.96 0.36 -0.67 0.00 0.00 0.00 175.10 173.81 1n02 n ASP 95 N 5.03 -4.34 0.00 3.32 2.03 -1.26 -1.78 116.55 119.54 1n02 n ASP 95 Ca -0.05 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1n02 n ASP 95 Cb 0.42 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.23 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 1.35 2.85 0.27 0.00 -1.25 -4.67 105.19 102.60 1n02 n GLY 96 Ca -0.08 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.33 -0.00 -0.15 1.61 0.01 -0.74 -4.49 113.70 107.61 1n02 s SER 97 Ca 0.00 0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 1n02 s SER 97 Cb 0.00 0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 1n02 s SER 97 CO 0.00 -0.08 1.35 -0.76 0.41 0.00 0.00 173.24 174.16 1n02 s LEU 98 N 0.66 4.18 0.01 2.44 1.43 -1.25 -0.13 118.68 126.02 1n02 s LEU 98 Ca -0.05 1.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1n02 s LEU 98 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1n02 s LEU 98 CO -0.02 -0.83 -0.20 -0.54 0.23 0.00 0.00 176.35 174.99 1n02 s LYS 99 N 3.68 1.49 0.13 1.70 -0.14 0.36 -4.80 119.74 122.16 1n02 s LYS 99 Ca 0.59 -0.77 0.03 0.00 -1.36 0.00 0.00 55.97 54.46 1n02 s LYS 99 Cb -0.24 -1.49 -0.13 0.00 -1.68 0.00 0.00 37.83 34.29 1n02 s LYS 99 CO 0.18 0.40 1.29 -0.92 -0.76 0.00 0.00 175.35 175.55 1n02 h TYR 100 N 5.38 0.21 0.00 3.18 5.03 -1.88 1.15 116.97 130.04 1n02 h TYR 100 Ca -0.39 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 60.78 1n02 h TYR 100 Cb 1.15 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.41 1n02 h TYR 100 CO 0.43 1.04 0.00 0.39 -1.32 0.00 0.00 178.16 178.70