#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 0.13 -4.76 0.99 4.77 -1.26 -5.02 117.00 111.84 1n02 n LEU 1 Ca 0.00 0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 1n02 n LEU 1 Cb 0.00 -0.25 0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1n02 n LEU 1 CO 0.00 -0.25 0.69 -0.83 -1.33 0.00 0.00 177.39 175.67 1n02 s GLY 2 N -1.96 1.66 -0.46 -0.72 0.00 -0.27 -4.99 107.32 100.58 1n02 s GLY 2 Ca 0.00 0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1n02 s GLY 2 CO 0.00 0.57 0.60 0.54 0.00 0.00 0.00 173.10 174.81 1n02 s LYS 3 N -4.92 0.94 -0.17 2.90 1.02 -0.99 -3.68 119.74 114.83 1n02 s LYS 3 Ca 0.61 -1.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 1n02 s LYS 3 Cb -0.17 -0.32 -0.22 0.00 -0.52 0.00 0.00 37.83 36.59 1n02 s LYS 3 CO 0.56 -1.29 0.15 1.97 -0.92 0.00 0.00 175.35 175.82 1n02 n PHE 4 N 3.40 0.83 0.33 3.18 -1.74 -1.21 -4.19 117.46 118.05 1n02 n PHE 4 Ca 0.18 0.19 0.21 0.00 -0.56 0.00 0.00 57.45 57.47 1n02 n PHE 4 Cb 0.54 -1.11 1.11 0.00 1.52 0.00 0.00 39.48 41.54 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 -0.06 0.08 0.00 1.97 6.09 -1.85 0.75 117.51 124.48 1n02 h ILE 5 Ca -0.48 -0.08 -0.08 0.00 -1.37 0.00 0.00 64.86 62.85 1n02 h ILE 5 Cb 1.93 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 40.28 1n02 h ILE 5 CO -0.00 0.01 -0.37 -0.33 -3.07 0.00 0.00 178.15 174.38 1n02 h GLU 6 N 0.00 0.00 -0.00 2.19 4.39 -1.96 -3.27 114.58 115.93 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 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1n02 h GLU 6 CO 0.00 0.37 -0.04 0.25 -1.16 0.00 0.00 179.01 178.44 1n02 n THR 7 N -3.41 0.00 -4.05 1.13 -2.24 -0.40 -5.04 114.28 100.27 1n02 n THR 7 Ca 0.00 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 1n02 n THR 7 Cb 0.55 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.81 1.63 -1.20 0.00 1.70 0.65 -4.72 118.95 114.20 1n02 s ARG 9 Ca 0.31 -1.93 -0.21 0.00 -0.47 0.00 0.00 55.73 53.43 1n02 s ARG 9 Cb -0.11 -0.45 0.01 0.00 -0.57 0.00 0.00 34.95 33.82 1n02 s ARG 9 CO 0.23 -0.35 0.70 0.27 -1.08 0.00 0.00 175.30 175.08 1n02 n ASN 10 N -0.82 -4.21 -4.71 -2.89 6.94 -1.26 -2.20 115.26 106.10 1n02 n ASN 10 Ca -0.02 -1.09 -0.42 0.00 -0.02 0.00 0.00 54.58 53.04 1n02 n ASN 10 Cb 0.66 -2.91 -0.03 0.00 -2.36 0.00 0.00 39.78 35.14 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 -3.57 4.72 0.19 5.53 -4.23 -1.26 -4.36 115.64 112.66 1n02 s THR 11 Ca 0.40 1.97 -0.19 0.00 -1.18 0.00 0.00 61.69 62.70 1n02 s THR 11 Cb -0.17 -4.26 0.03 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.89 0.16 0.55 0.00 -0.54 0.00 0.00 174.62 175.68 1n02 s GLN 12 N 0.96 1.38 -0.11 3.99 -2.07 -1.01 -4.39 119.66 118.42 1n02 s GLN 12 Ca 0.53 -0.80 -0.11 0.00 -1.82 0.00 0.00 55.36 53.16 1n02 s GLN 12 Cb -0.22 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1n02 s GLN 12 CO 0.28 -0.59 0.24 -1.17 -1.32 0.00 0.00 175.29 172.73 1n02 s LEU 13 N -2.85 4.36 0.04 2.60 2.96 -1.26 -1.60 118.68 122.93 1n02 s LEU 13 Ca 0.08 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1n02 s LEU 13 Cb -0.01 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n02 s LEU 13 CO -0.04 0.30 -0.25 0.00 -1.32 0.00 0.00 176.35 175.03 1n02 s ALA 14 N -0.59 2.16 0.00 5.97 0.00 0.28 -4.88 121.76 124.71 1n02 s ALA 14 Ca 0.17 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1n02 s ALA 14 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1n02 s ALA 14 CO 0.06 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1n02 n GLY 15 N 1.82 0.99 0.12 0.00 0.00 -1.26 -1.02 105.19 105.84 1n02 n GLY 15 Ca -0.17 -0.67 -0.17 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 6.62 0.36 -0.17 1.61 0.02 -1.97 -3.42 113.55 116.61 1n02 h SER 16 Ca 0.00 -0.60 -0.20 0.00 -0.84 0.00 0.00 61.79 60.15 1n02 h SER 16 Cb 0.00 -0.12 -0.36 0.00 0.14 0.00 0.00 62.40 62.06 1n02 h SER 16 CO 0.00 1.51 -0.97 -1.54 -1.14 0.00 0.00 176.83 174.69 1n02 n SER 17 N -3.41 0.94 -4.57 3.07 3.41 -1.25 -4.67 113.62 107.13 1n02 n SER 17 Ca -0.21 -2.02 -0.29 0.00 -0.26 0.00 0.00 58.87 56.09 1n02 n SER 17 Cb 1.05 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.53 2.08 -0.11 4.33 8.01 -0.19 -1.33 118.70 129.96 1n02 s GLU 18 Ca 0.27 -1.10 0.02 0.00 0.01 0.00 0.00 54.97 54.17 1n02 s GLU 18 Cb 0.34 -2.25 0.02 0.00 -4.31 0.00 0.00 34.13 27.92 1n02 s GLU 18 CO -0.10 0.48 -0.16 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -2.38 1.74 0.03 1.80 2.96 -0.31 0.99 118.68 123.51 1n02 s LEU 19 Ca 0.22 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1n02 s LEU 19 Cb -0.10 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1n02 s LEU 19 CO 0.14 0.01 -0.26 0.00 -1.32 0.00 0.00 176.35 174.93 1n02 s ALA 20 N 1.02 2.17 0.28 5.97 0.00 -0.63 0.04 121.76 130.62 1n02 s ALA 20 Ca -0.06 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 1n02 s ALA 20 Cb -0.15 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1n02 s ALA 20 CO -0.02 0.52 0.80 0.00 0.00 0.00 0.00 175.76 177.05 1n02 s ALA 21 N -0.75 -1.20 -0.10 0.00 0.00 0.49 -2.40 121.76 117.80 1n02 s ALA 21 Ca 0.11 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1n02 s ALA 21 Cb -0.10 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n02 s ALA 21 CO 0.01 -1.03 -0.14 -1.21 0.00 0.00 0.00 175.76 173.39 1n02 s GLU 22 N -3.30 3.02 -0.04 0.00 2.02 -0.94 0.45 118.70 119.91 1n02 s GLU 22 Ca 0.13 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1n02 s GLU 22 Cb -0.05 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.68 1n02 s GLU 22 CO 0.07 0.37 -0.10 0.00 0.02 0.00 0.00 175.26 175.62 1n02 s LYS 24 N 0.43 4.30 0.57 0.00 -2.85 -1.15 -2.82 119.74 118.22 1n02 s LYS 24 Ca -0.08 2.28 -0.06 0.00 -1.00 0.00 0.00 55.97 57.10 1n02 s LYS 24 Cb -0.12 -3.08 0.12 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.02 -0.32 0.77 0.25 0.10 0.00 0.00 175.35 176.17 1n02 n THR 25 N 1.44 0.00 0.23 3.79 -2.24 0.22 -4.08 114.28 113.63 1n02 n THR 25 Ca 0.03 -0.79 0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1n02 n THR 25 Cb 0.41 -1.43 0.55 0.00 -2.10 0.00 0.00 70.33 67.76 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 0.02 -0.09 -0.78 2.47 -1.88 -1.59 114.38 112.53 1n02 h ARG 26 Ca -0.25 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1n02 h ARG 26 Cb 0.78 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1n02 h ARG 26 CO 0.21 0.13 0.00 0.00 0.56 0.00 0.00 179.97 180.87 1n02 n ALA 27 N -2.52 2.50 -3.02 0.04 0.00 -1.26 -4.87 120.51 111.39 1n02 n ALA 27 Ca -0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1n02 n ALA 27 Cb 0.19 -1.04 0.04 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 -0.27 -4.36 -5.18 0.00 1.13 -0.60 -5.03 117.38 103.07 1n02 n GLN 28 Ca 0.05 0.57 -0.32 0.00 -1.94 0.00 0.00 57.00 55.36 1n02 n GLN 28 Cb 0.09 -4.76 -0.16 0.00 0.11 0.00 0.00 30.24 25.52 1n02 n GLN 28 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1n02 s GLN 29 N -5.61 2.59 -0.18 -1.09 -0.21 -1.26 -4.86 119.66 109.04 1n02 s GLN 29 Ca 0.30 -0.86 -0.19 0.00 0.02 0.00 0.00 55.36 54.63 1n02 s GLN 29 Cb -0.13 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 1n02 s GLN 29 CO 0.38 0.41 0.56 -0.06 -2.12 0.00 0.00 175.29 174.45 1n02 s PHE 30 N -0.21 3.40 0.06 0.91 0.40 -1.26 0.69 117.98 121.97 1n02 s PHE 30 Ca -0.02 0.86 0.05 0.00 -0.60 0.00 0.00 56.93 57.23 1n02 s PHE 30 Cb -0.13 -2.71 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 1n02 s PHE 30 CO 0.03 -0.08 -0.15 0.14 0.70 0.00 0.00 175.22 175.86 1n02 s VAL 31 N 1.55 1.18 0.21 -0.44 -7.23 -1.13 -4.93 120.40 109.62 1n02 s VAL 31 Ca 0.27 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 58.91 1n02 s VAL 31 Cb -0.16 -1.11 -0.09 0.00 0.56 0.00 0.00 36.38 35.59 1n02 s VAL 31 CO 0.10 -0.13 1.28 -0.44 -0.31 0.00 0.00 175.10 175.60 1n02 s SER 32 N -1.55 6.94 0.10 4.85 0.01 -1.26 -1.50 113.70 121.28 1n02 s SER 32 Ca 0.00 2.38 -0.06 0.00 1.31 0.00 0.00 55.95 59.58 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 -0.48 0.14 0.28 0.41 0.00 0.00 173.24 173.61 1n02 s THR 33 N -0.05 0.14 0.05 1.44 -1.32 0.17 -4.92 115.64 111.15 1n02 s THR 33 Ca 0.55 -1.46 -0.04 0.00 -1.21 0.00 0.00 61.69 59.53 1n02 s THR 33 Cb -0.36 -1.58 -0.02 0.00 -1.51 0.00 0.00 72.50 69.04 1n02 s THR 33 CO 0.39 -0.63 0.07 -0.75 -2.21 0.00 0.00 174.62 171.49 1n02 s LYS 34 N -3.92 0.63 -0.04 7.08 2.20 -1.26 -0.38 119.74 124.05 1n02 s LYS 34 Ca 0.10 -0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1n02 s LYS 34 Cb 0.06 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1n02 s LYS 34 CO -0.07 -0.15 0.00 -1.50 -0.36 0.00 0.00 175.35 173.27 1n02 s ILE 35 N -3.26 0.23 -0.35 5.43 1.10 0.11 -4.36 121.20 120.10 1n02 s ILE 35 Ca 0.01 0.10 -0.22 0.00 -0.51 0.00 0.00 60.65 60.03 1n02 s ILE 35 Cb 0.03 -0.35 0.01 0.00 0.15 0.00 0.00 42.46 42.30 1n02 s ILE 35 CO -0.08 0.18 0.73 0.21 -2.11 0.00 0.00 174.94 173.88 1n02 s ASN 36 N 1.31 6.53 0.20 4.50 3.84 -1.26 -1.16 114.94 128.90 1n02 s ASN 36 Ca -0.06 0.34 0.24 0.00 0.21 0.00 0.00 52.86 53.59 1n02 s ASN 36 Cb -0.13 -2.37 0.39 0.00 -0.55 0.00 0.00 41.25 38.58 1n02 s ASN 36 CO -0.02 -0.66 1.41 -0.07 -2.79 0.00 0.00 177.10 174.97 1n02 h LEU 37 N 9.56 0.00 -0.36 3.21 4.07 -1.65 -3.26 115.31 126.89 1n02 h LEU 37 Ca -0.25 -0.10 0.05 0.00 0.08 0.00 0.00 57.88 57.66 1n02 h LEU 37 Cb 1.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1n02 h LEU 37 CO 0.88 0.05 0.08 0.44 -1.08 0.00 0.00 178.44 178.81 1n02 h ASP 38 N 0.00 0.02 0.44 -0.43 5.19 -1.42 0.97 116.42 121.20 1n02 h ASP 38 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1n02 h ASP 38 Cb 0.82 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1n02 h ASP 38 CO 0.00 0.05 -0.60 0.47 -3.12 0.00 0.00 179.24 176.04 1n02 n ASP 39 N -5.08 0.58 -0.03 6.45 8.00 -1.26 -1.23 116.55 123.98 1n02 n ASP 39 Ca 0.01 -0.33 -0.02 0.00 0.71 0.00 0.00 54.79 55.16 1n02 n ASP 39 Cb 0.16 0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.55 0.16 -2.70 1.24 8.25 -0.89 -3.79 115.22 115.94 1n02 n HIS 40 Ca 0.05 0.07 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 1n02 n HIS 40 Cb 0.34 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.52 4.41 0.24 1.59 1.01 0.33 -0.91 121.20 126.35 1n02 s ILE 41 Ca -0.07 1.41 -0.00 0.00 0.00 0.00 0.00 60.65 61.98 1n02 s ILE 41 Cb 0.01 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1n02 s ILE 41 CO 0.11 -0.42 0.20 0.00 0.00 0.00 0.00 174.94 174.84 1n02 s ALA 42 N -2.29 1.18 -0.34 9.38 0.00 0.27 -3.76 121.76 126.18 1n02 s ALA 42 Ca 0.61 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 1n02 s ALA 42 Cb -0.09 1.37 0.04 0.00 0.00 0.00 0.00 23.12 24.44 1n02 s ALA 42 CO 0.18 -0.64 0.12 1.21 0.00 0.00 0.00 175.76 176.63 1n02 s ASN 43 N -3.20 5.35 -0.69 0.00 2.47 -1.26 -1.46 114.94 116.16 1n02 s ASN 43 Ca 0.38 -1.16 -0.04 0.00 0.42 0.00 0.00 52.86 52.46 1n02 s ASN 43 Cb 0.05 -1.88 0.18 0.00 -1.45 0.00 0.00 41.25 38.15 1n02 s ASN 43 CO 0.15 -0.34 0.53 -0.63 -3.72 0.00 0.00 177.10 173.09 1n02 s ILE 44 N 1.41 4.04 -0.81 -5.21 -1.09 0.26 -4.66 121.20 115.14 1n02 s ILE 44 Ca -0.01 -3.04 -0.05 0.00 -2.23 0.00 0.00 60.65 55.32 1n02 s ILE 44 Cb -0.20 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1n02 s ILE 44 CO 0.03 -0.93 0.69 -0.67 -1.23 0.00 0.00 174.94 172.84 1n02 n ASP 45 N 3.37 -4.60 0.00 3.58 2.03 -1.26 -2.67 116.55 117.00 1n02 n ASP 45 Ca 0.11 -0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1n02 n ASP 45 Cb 0.39 -3.19 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 1n02 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 46 N -1.39 0.88 3.49 0.27 0.00 -1.07 -4.30 105.19 103.06 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 -3.49 3.33 -0.28 2.61 2.01 -1.09 -4.52 115.64 114.20 1n02 s THR 47 Ca 0.00 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1n02 s THR 47 Cb 0.00 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.16 1n02 s THR 47 CO 0.00 0.57 1.25 -0.76 -0.69 0.00 0.00 174.62 174.99 1n02 s LEU 48 N -0.44 3.94 0.13 4.42 1.43 -1.26 -0.57 118.68 126.33 1n02 s LEU 48 Ca 0.06 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1n02 s LEU 48 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.02 -0.99 -0.04 -0.54 0.23 0.00 0.00 176.35 175.03 1n02 s LYS 49 N 3.95 0.97 -0.23 1.70 1.02 -0.53 -4.90 119.74 121.72 1n02 s LYS 49 Ca 0.54 -1.43 -0.22 0.00 0.02 0.00 0.00 55.97 54.88 1n02 s LYS 49 Cb -0.16 -0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 36.88 1n02 s LYS 49 CO 0.20 -0.06 0.70 -1.58 -0.92 0.00 0.00 175.35 173.69 1n02 s TRP 50 N -3.63 3.32 -0.27 3.18 0.51 -1.26 0.95 118.94 121.74 1n02 s TRP 50 Ca 0.18 0.96 -0.27 0.00 -2.12 0.00 0.00 56.10 54.85 1n02 s TRP 50 Cb 0.05 -2.91 0.17 0.00 -0.81 0.00 0.00 33.47 29.98 1n02 s TRP 50 CO -0.01 -0.31 1.28 -1.14 -0.51 0.00 0.00 176.95 176.26 1n02 s GLN 51 N 2.47 0.22 -0.78 4.98 0.74 -0.08 -4.86 119.66 122.35 1n02 s GLN 51 Ca 0.30 0.17 -0.26 0.00 0.05 0.00 0.00 55.36 55.62 1n02 s GLN 51 Cb -0.16 0.11 -0.22 0.00 1.10 0.00 0.00 33.01 33.84 1n02 s GLN 51 CO 0.09 -0.04 1.90 -0.35 -0.55 0.00 0.00 175.29 176.34 1n02 n PRO 52 N 1.34 0.69 -3.64 1.67 -0.04 -1.25 -3.75 135.00 130.02 1n02 n PRO 52 Ca -0.08 -1.74 -0.06 0.00 -0.04 0.00 0.00 63.50 61.57 1n02 n PRO 52 Cb 0.57 -3.35 -0.07 0.00 -0.04 0.00 0.00 33.50 30.61 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 7.03 -0.63 -0.48 3.54 1.04 -1.25 -5.01 113.70 117.94 1n02 s SER 53 Ca 0.71 1.07 -0.28 0.00 0.48 0.00 0.00 55.95 57.93 1n02 s SER 53 Cb 0.05 1.20 0.03 0.00 0.10 0.00 0.00 66.02 67.40 1n02 s SER 53 CO 0.21 -0.17 1.10 0.20 0.98 0.00 0.00 173.24 175.55 1n02 s ASN 54 N 1.04 6.60 0.55 7.02 0.01 -0.36 -3.13 114.94 126.67 1n02 s ASN 54 Ca -0.05 0.39 0.33 0.00 -0.71 0.00 0.00 52.86 52.82 1n02 s ASN 54 Cb -0.04 -2.53 1.49 0.00 0.41 0.00 0.00 41.25 40.58 1n02 s ASN 54 CO -0.12 -1.22 1.83 2.19 -1.51 0.00 0.00 177.10 178.27 1n02 h PHE 55 N 9.21 0.00 0.00 2.20 -0.00 -1.77 -1.03 116.94 125.54 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 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.01 1n02 h PHE 55 CO 0.96 0.00 0.46 0.66 -0.00 0.00 0.00 178.31 180.39 1n02 h SER 56 N 0.00 0.00 0.15 -0.68 4.64 -1.88 -0.43 113.55 115.34 1n02 h SER 56 Ca 0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.75 1n02 h SER 56 Cb 1.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1n02 h SER 56 CO -0.00 0.00 -0.10 1.56 -0.87 0.00 0.00 176.83 177.41 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.60 -3.19 115.11 116.18 1n02 h GLN 57 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n02 h GLN 57 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1n02 h GLN 57 CO 0.00 0.10 0.00 0.25 -0.95 0.00 0.00 178.83 178.23 1n02 n THR 58 N -4.15 0.00 -4.24 -0.54 -2.24 -0.25 -5.07 114.28 97.79 1n02 n THR 58 Ca -0.03 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 1n02 n THR 58 Cb 0.18 1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.19 0.33 -1.02 0.00 -0.85 0.26 -4.61 117.35 110.28 1n02 s TYR 60 Ca 0.22 -0.78 -0.05 0.00 -0.52 0.00 0.00 57.07 55.95 1n02 s TYR 60 Cb -0.11 -0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.00 1n02 s TYR 60 CO 0.14 -0.42 0.88 0.09 -1.52 0.00 0.00 175.55 174.72 1n02 n ASN 61 N 0.26 -4.25 -4.75 -0.18 3.02 -1.26 -2.74 115.26 105.35 1n02 n ASN 61 Ca -0.16 -0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 53.54 1n02 n ASN 61 Cb 0.61 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.54 6.86 0.03 6.41 0.01 -1.26 -4.29 113.70 117.92 1n02 s SER 62 Ca 0.30 2.52 -0.06 0.00 1.31 0.00 0.00 55.95 60.02 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 0.57 -0.51 0.11 0.00 0.41 0.00 0.00 173.24 173.82 1n02 s ALA 63 N -0.48 -0.16 -0.00 1.44 0.00 0.33 -4.95 121.76 117.94 1n02 s ALA 63 Ca 0.53 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1n02 s ALA 63 Cb -0.38 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n02 s ALA 63 CO 0.44 -0.27 -0.13 0.42 0.00 0.00 0.00 175.76 176.22 1n02 s ILE 64 N -2.13 0.99 -0.21 0.00 1.01 -1.26 0.79 121.20 120.39 1n02 s ILE 64 Ca -0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1n02 s ILE 64 Cb -0.04 -0.84 0.07 0.00 0.01 0.00 0.00 42.46 41.66 1n02 s ILE 64 CO -0.02 0.23 0.07 -1.10 0.00 0.00 0.00 174.94 174.12 1n02 s GLN 65 N -0.42 0.37 7.78 2.79 -0.21 -0.82 -4.56 119.66 124.59 1n02 s GLN 65 Ca 0.04 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.07 1n02 s GLN 65 Cb -0.05 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.09 1n02 s GLN 65 CO -0.00 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 1n02 n GLY 66 N 5.15 3.05 0.42 3.09 0.00 -1.26 -2.53 105.19 113.11 1n02 n GLY 66 Ca -0.07 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 8.31 1.86 -4.83 1.61 3.41 -1.26 -4.74 113.62 117.97 1n02 n SER 67 Ca 0.00 -1.43 -0.36 0.00 -0.26 0.00 0.00 58.87 56.82 1n02 n SER 67 Cb 0.00 0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.43 5.26 -0.21 -3.33 1.01 -1.05 -1.88 120.40 117.77 1n02 s VAL 68 Ca 0.16 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1n02 s VAL 68 Cb 0.17 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1n02 s VAL 68 CO 0.57 0.61 0.11 -0.22 0.00 0.00 0.00 175.10 176.17 1n02 s LEU 69 N -0.94 3.99 -0.17 3.92 2.96 -0.43 -1.94 118.68 126.08 1n02 s LEU 69 Ca 0.14 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1n02 s LEU 69 Cb -0.12 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1n02 s LEU 69 CO 0.03 0.13 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.15 1n02 s THR 70 N 0.67 2.59 0.03 3.68 2.01 0.24 -2.81 115.64 122.05 1n02 s THR 70 Ca 0.06 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 1n02 s THR 70 Cb -0.13 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1n02 s THR 70 CO 0.01 0.51 0.38 -0.55 -0.69 0.00 0.00 174.62 174.28 1n02 s SER 71 N 1.05 -0.24 -0.20 3.53 0.15 -1.19 0.12 113.70 116.93 1n02 s SER 71 Ca -0.01 -0.02 -0.16 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 64.52 1n02 s SER 71 CO -0.04 -0.62 0.40 -0.89 1.20 0.00 0.00 173.24 173.29 1n02 s THR 72 N -2.30 5.20 0.02 6.45 2.01 -1.11 -1.78 115.64 124.13 1n02 s THR 72 Ca -0.06 0.71 0.06 0.00 0.31 0.00 0.00 61.69 62.71 1n02 s THR 72 Cb -0.01 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1n02 s THR 72 CO -0.01 0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 173.98 1n02 s GLU 74 N -0.86 4.62 0.12 0.00 2.12 -0.53 0.67 118.70 124.84 1n02 s GLU 74 Ca 0.07 1.79 -0.13 0.00 0.36 0.00 0.00 54.97 57.06 1n02 s GLU 74 Cb -0.08 -3.22 -0.07 0.00 0.26 0.00 0.00 34.13 31.03 1n02 s GLU 74 CO 0.01 0.15 0.50 1.03 -0.54 0.00 0.00 175.26 176.41 1n02 s ARG 75 N -1.07 3.93 0.57 4.30 0.52 -1.01 -2.60 118.95 123.59 1n02 s ARG 75 Ca 0.46 0.41 0.29 0.00 -0.52 0.00 0.00 55.73 56.37 1n02 s ARG 75 Cb -0.31 -2.97 1.47 0.00 0.52 0.00 0.00 34.95 33.65 1n02 s ARG 75 CO 0.39 0.52 1.92 1.15 0.02 0.00 0.00 175.30 179.30 1n02 h THR 76 N 2.89 0.48 -0.02 0.02 2.02 -1.93 0.82 112.91 117.19 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 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 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 -3.97 0.35 0.00 4.18 2.85 -1.26 -4.99 115.26 112.42 1n02 n ASN 77 Ca 0.11 -1.33 0.00 0.00 -0.11 0.00 0.00 54.58 53.25 1n02 n ASN 77 Cb 0.72 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.72 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 0.94 -0.36 0.00 8.20 0.00 0.28 -5.12 105.19 109.13 1n02 n GLY 78 Ca 0.18 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.89 -0.21 3.10 -0.02 0.00 -1.26 -4.66 105.19 103.03 1n02 n GLY 79 Ca 0.00 -2.26 -0.20 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.02 1.11 -0.20 1.61 2.02 -1.26 -2.40 117.35 118.20 1n02 s TYR 80 Ca 0.00 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1n02 s TYR 80 Cb 0.00 -0.69 0.06 0.00 -0.40 0.00 0.00 41.96 40.93 1n02 s TYR 80 CO 0.00 -0.00 0.49 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.63 -0.64 -0.07 2.29 2.47 0.21 -4.90 114.94 113.68 1n02 s ASN 81 Ca 0.03 1.08 -0.16 0.00 0.42 0.00 0.00 52.86 54.23 1n02 s ASN 81 Cb -0.06 0.95 -0.05 0.00 -1.45 0.00 0.00 41.25 40.64 1n02 s ASN 81 CO 0.00 -0.21 0.41 0.28 -3.72 0.00 0.00 177.10 173.86 1n02 s THR 82 N 1.45 5.13 0.23 -5.21 -1.32 -1.26 0.69 115.64 115.36 1n02 s THR 82 Ca -0.10 0.82 0.10 0.00 -1.21 0.00 0.00 61.69 61.31 1n02 s THR 82 Cb -0.07 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 67.14 1n02 s THR 82 CO -0.15 0.46 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.59 1n02 s SER 83 N -0.24 3.21 0.06 8.08 1.04 -0.73 -4.93 113.70 120.19 1n02 s SER 83 Ca 0.23 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.76 1n02 s SER 83 Cb -0.15 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1n02 s SER 83 CO 0.11 -0.01 -0.23 -0.44 0.98 0.00 0.00 173.24 173.65 1n02 s SER 84 N -3.22 2.79 -0.07 7.02 0.01 -1.26 -3.15 113.70 115.81 1n02 s SER 84 Ca 0.25 -0.59 -0.11 0.00 1.31 0.00 0.00 55.95 56.81 1n02 s SER 84 Cb -0.05 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1n02 s SER 84 CO 0.11 0.18 0.27 -0.51 0.41 0.00 0.00 173.24 173.70 1n02 s ILE 85 N -0.88 0.02 -0.28 1.44 2.07 -1.12 -4.92 121.20 117.53 1n02 s ILE 85 Ca 0.09 -0.19 -0.14 0.00 -1.41 0.00 0.00 60.65 59.00 1n02 s ILE 85 Cb -0.09 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1n02 s ILE 85 CO 0.03 -0.11 0.32 -0.62 -1.91 0.00 0.00 174.94 172.65 1n02 s ASP 86 N -0.37 6.18 0.00 4.50 -1.08 -1.26 -1.31 116.67 123.32 1n02 s ASP 86 Ca -0.05 0.18 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 1n02 s ASP 86 Cb -0.03 -2.18 -0.08 0.00 -1.46 0.00 0.00 42.92 39.17 1n02 s ASP 86 CO 0.01 -0.15 1.00 0.18 0.52 0.00 0.00 175.17 176.73 1n02 n LEU 87 N 5.25 1.67 -0.45 -1.34 4.77 -0.79 -4.52 117.00 121.60 1n02 n LEU 87 Ca -0.10 -0.68 0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1n02 n LEU 87 Cb 0.51 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.37 1n02 n LEU 87 CO 0.36 0.33 1.38 -1.13 -1.33 0.00 0.00 177.39 177.00 1n02 h ASN 88 N 1.63 0.00 0.28 -1.43 -0.00 -1.86 0.29 115.58 114.49 1n02 h ASN 88 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.96 1n02 h ASN 88 Cb 0.66 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.00 1n02 h ASN 88 CO 0.00 0.00 -1.53 -1.28 -0.00 0.00 0.00 177.43 174.62 1n02 h SER 89 N 0.00 0.76 0.08 1.15 0.87 -1.79 -2.64 113.55 111.98 1n02 h SER 89 Ca 0.69 -0.87 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1n02 h SER 89 Cb 2.81 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 64.52 1n02 h SER 89 CO -0.01 1.70 -0.04 -0.37 -0.53 0.00 0.00 176.83 177.58 1n02 h VAL 90 N 0.13 1.19 -3.81 2.23 -1.51 -0.78 -0.71 116.25 113.00 1n02 h VAL 90 Ca -0.27 -1.31 -0.48 0.00 -1.23 0.00 0.00 66.70 63.41 1n02 h VAL 90 Cb 2.14 1.99 -0.02 0.00 -2.13 0.00 0.00 31.29 33.27 1n02 h VAL 90 CO 0.25 0.31 0.22 -0.63 -1.23 0.00 0.00 177.57 176.49 1n02 s ILE 91 N -3.57 4.46 0.16 7.19 1.09 -0.48 0.56 121.20 130.61 1n02 s ILE 91 Ca -0.15 1.38 -0.00 0.00 -1.10 0.00 0.00 60.65 60.78 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 0.58 -0.05 0.05 -0.70 -0.10 0.00 0.00 174.94 174.73 1n02 s GLU 92 N -2.57 1.03 -0.48 2.79 2.12 0.33 -3.30 118.70 118.61 1n02 s GLU 92 Ca 0.53 -1.50 -0.09 0.00 0.36 0.00 0.00 54.97 54.26 1n02 s GLU 92 Cb -0.13 0.10 0.12 0.00 0.26 0.00 0.00 34.13 34.48 1n02 s GLU 92 CO 0.19 -0.25 0.36 1.21 -0.54 0.00 0.00 175.26 176.23 1n02 s ASN 93 N -3.11 5.73 -0.69 -1.70 2.47 -1.26 -0.68 114.94 115.70 1n02 s ASN 93 Ca 0.27 -1.94 -0.16 0.00 0.42 0.00 0.00 52.86 51.45 1n02 s ASN 93 Cb 0.07 -2.02 0.16 0.00 -1.45 0.00 0.00 41.25 38.01 1n02 s ASN 93 CO 0.04 -0.69 0.68 -0.69 -3.72 0.00 0.00 177.10 172.72 1n02 s VAL 94 N 1.33 5.29 -1.22 -5.21 1.01 0.46 -4.53 120.40 117.53 1n02 s VAL 94 Ca 0.06 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1n02 s VAL 94 Cb -0.26 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.70 1n02 s VAL 94 CO -0.01 -1.01 0.25 -0.67 0.00 0.00 0.00 175.10 173.66 1n02 n ASP 95 N 4.98 -4.16 0.00 3.32 2.03 -1.26 -1.78 116.55 119.67 1n02 n ASP 95 Ca 0.00 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1n02 n ASP 95 Cb 0.44 -3.48 0.00 0.00 -0.72 0.00 0.00 41.12 37.36 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 -1.03 1.47 2.88 0.27 0.00 -1.26 -4.67 105.19 102.85 1n02 n GLY 96 Ca -0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.26 -0.03 -0.13 1.61 0.01 -0.73 -4.58 113.70 107.58 1n02 s SER 97 Ca 0.00 0.14 -0.29 0.00 1.31 0.00 0.00 55.95 57.11 1n02 s SER 97 Cb 0.00 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 1n02 s SER 97 CO 0.00 -0.09 1.35 -0.76 0.41 0.00 0.00 173.24 174.15 1n02 s LEU 98 N 0.65 4.22 -0.00 2.44 1.43 -1.25 -0.40 118.68 125.77 1n02 s LEU 98 Ca -0.05 1.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.94 1n02 s LEU 98 Cb -0.07 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1n02 s LEU 98 CO -0.02 -0.78 -0.18 -0.54 0.23 0.00 0.00 176.35 175.05 1n02 s LYS 99 N 3.48 1.44 -1.35 1.70 1.02 0.14 -4.80 119.74 121.37 1n02 s LYS 99 Ca 0.59 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.72 1n02 s LYS 99 Cb -0.25 -1.42 0.07 0.00 -0.52 0.00 0.00 37.83 35.71 1n02 s LYS 99 CO 0.19 0.38 1.91 0.98 -0.92 0.00 0.00 175.35 177.89 1n02 n TYR 100 N 2.47 4.22 -0.41 3.18 4.19 -1.26 0.12 117.16 129.67 1n02 n TYR 100 Ca -0.15 -2.92 0.00 0.00 3.31 0.00 0.00 57.90 58.14 1n02 n TYR 100 Cb 0.54 -2.56 0.00 0.00 0.49 0.00 0.00 39.34 37.80 1n02 n TYR 100 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86