#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 0.00 0.99 4.77 -1.26 -4.05 117.00 117.45 1n02 n LEU 1 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1n02 n LEU 1 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1n02 n LEU 1 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1n02 n GLY 2 N 0.00 0.13 2.78 -0.72 0.00 -1.23 -4.88 105.19 101.27 1n02 n GLY 2 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.37 -1.20 -0.03 1.61 5.02 0.24 -4.69 118.16 118.74 1n02 n LYS 3 Ca 0.00 1.40 -0.17 0.00 -2.02 0.00 0.00 58.31 57.51 1n02 n LYS 3 Cb 0.00 -5.06 -0.14 0.00 -0.02 0.00 0.00 35.03 29.81 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 -1.49 0.96 0.37 2.13 -1.74 -1.18 -4.02 117.46 112.48 1n02 n PHE 4 Ca 0.01 0.24 0.08 0.00 -0.56 0.00 0.00 57.45 57.22 1n02 n PHE 4 Cb 0.49 -1.14 0.34 0.00 1.52 0.00 0.00 39.48 40.69 1n02 n PHE 4 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 1n02 n ILE 5 N -3.30 1.10 0.15 1.97 0.13 -1.26 -0.09 119.36 118.05 1n02 n ILE 5 Ca -0.30 0.32 0.03 0.00 -1.10 0.00 0.00 62.75 61.69 1n02 n ILE 5 Cb 1.05 -1.18 0.14 0.00 -0.84 0.00 0.00 39.64 38.80 1n02 n ILE 5 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1n02 h GLU 6 N 0.00 0.00 -0.00 9.51 4.39 -1.97 -3.29 114.58 123.22 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 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1n02 h GLU 6 CO 0.00 0.51 -0.03 0.25 -1.16 0.00 0.00 179.01 178.58 1n02 n THR 7 N -3.37 0.00 -4.11 1.13 -2.24 -0.73 -5.03 114.28 99.92 1n02 n THR 7 Ca 0.01 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 1n02 n THR 7 Cb 0.67 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.85 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 -2.42 1.63 -1.21 0.00 1.70 0.07 -4.71 118.95 114.00 1n02 s ARG 9 Ca 0.27 -1.92 -0.15 0.00 -0.47 0.00 0.00 55.73 53.45 1n02 s ARG 9 Cb -0.12 -0.48 -0.00 0.00 -0.57 0.00 0.00 34.95 33.78 1n02 s ARG 9 CO 0.19 -0.33 0.70 0.27 -1.08 0.00 0.00 175.30 175.05 1n02 n ASN 10 N -0.79 -3.84 -4.72 -2.89 6.94 -1.26 -2.39 115.26 106.31 1n02 n ASN 10 Ca -0.02 -1.01 -0.41 0.00 -0.02 0.00 0.00 54.58 53.12 1n02 n ASN 10 Cb 0.66 -3.29 -0.04 0.00 -2.36 0.00 0.00 39.78 34.75 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 -3.60 4.57 0.20 5.53 -4.23 -1.26 -4.39 115.64 112.46 1n02 s THR 11 Ca 0.34 2.00 -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 0.24 0.59 0.00 -0.54 0.00 0.00 174.62 175.78 1n02 s GLN 12 N 0.44 1.42 -0.11 3.99 -2.07 -1.00 -4.41 119.66 117.92 1n02 s GLN 12 Ca 0.50 -0.74 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 1n02 s GLN 12 Cb -0.23 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1n02 s GLN 12 CO 0.29 -0.62 0.25 -1.17 -1.32 0.00 0.00 175.29 172.72 1n02 s LEU 13 N -2.83 4.35 0.03 2.60 2.96 -1.26 -1.40 118.68 123.13 1n02 s LEU 13 Ca 0.06 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 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 0.00 176.35 175.01 1n02 s ALA 14 N -0.51 2.26 0.00 5.97 0.00 0.43 -4.88 121.76 125.03 1n02 s ALA 14 Ca 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1n02 s ALA 14 Cb -0.13 -0.50 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 1.89 1.01 0.12 0.00 0.00 -1.26 -1.00 105.19 105.94 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 6.64 0.40 -0.20 1.61 0.02 -1.97 -3.41 113.55 116.63 1n02 h SER 16 Ca 0.00 -0.64 -0.21 0.00 -0.84 0.00 0.00 61.79 60.11 1n02 h SER 16 Cb 0.00 -0.13 -0.38 0.00 0.14 0.00 0.00 62.40 62.03 1n02 h SER 16 CO 0.00 1.54 -1.04 -1.54 -1.14 0.00 0.00 176.83 174.65 1n02 n SER 17 N -3.44 1.17 -4.51 3.07 3.41 -1.25 -4.69 113.62 107.37 1n02 n SER 17 Ca -0.21 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.09 1n02 n SER 17 Cb 1.05 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.80 1.95 -0.12 4.33 8.01 -0.17 -0.04 118.70 130.85 1n02 s GLU 18 Ca 0.29 -1.09 0.02 0.00 0.01 0.00 0.00 54.97 54.21 1n02 s GLU 18 Cb 0.35 -2.19 0.01 0.00 -4.31 0.00 0.00 34.13 27.99 1n02 s GLU 18 CO -0.10 0.50 -0.18 -1.17 0.01 0.00 0.00 175.26 174.32 1n02 s LEU 19 N -1.99 1.89 0.04 1.80 2.96 0.38 0.16 118.68 123.92 1n02 s LEU 19 Ca 0.18 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1n02 s LEU 19 Cb -0.11 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1n02 s LEU 19 CO 0.10 0.04 -0.24 0.00 -1.32 0.00 0.00 176.35 174.92 1n02 s ALA 20 N 0.94 2.33 0.28 5.97 0.00 -0.49 0.17 121.76 130.97 1n02 s ALA 20 Ca -0.06 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.46 1n02 s ALA 20 Cb -0.15 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.46 1n02 s ALA 20 CO -0.02 0.54 0.78 0.00 0.00 0.00 0.00 175.76 177.06 1n02 s ALA 21 N -0.82 -1.18 -0.09 0.00 0.00 0.55 -2.38 121.76 117.84 1n02 s ALA 21 Ca 0.12 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.76 1n02 s ALA 21 Cb -0.10 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1n02 s ALA 21 CO 0.02 -1.03 -0.18 -1.21 0.00 0.00 0.00 175.76 173.36 1n02 s GLU 22 N -3.37 2.94 -0.02 0.00 2.02 -1.01 0.11 118.70 119.37 1n02 s GLU 22 Ca 0.13 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.37 1n02 s GLU 22 Cb -0.05 -2.41 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 1n02 s GLU 22 CO 0.07 0.34 -0.11 0.00 0.02 0.00 0.00 175.26 175.58 1n02 s LYS 24 N 0.05 4.33 0.50 0.00 -2.85 -1.15 -2.67 119.74 117.95 1n02 s LYS 24 Ca -0.01 2.22 -0.05 0.00 -1.00 0.00 0.00 55.97 57.13 1n02 s LYS 24 Cb -0.08 -3.10 0.11 0.00 -2.06 0.00 0.00 37.83 32.70 1n02 s LYS 24 CO 0.01 -0.26 0.69 0.25 0.10 0.00 0.00 175.35 176.13 1n02 n THR 25 N 1.45 0.00 0.16 3.79 -2.24 0.30 -4.03 114.28 113.71 1n02 n THR 25 Ca 0.03 -0.76 0.05 0.00 -2.27 0.00 0.00 64.05 61.10 1n02 n THR 25 Cb 0.41 -1.39 0.51 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 0.18 -0.09 -0.78 3.08 -1.88 -1.75 114.38 113.14 1n02 h ARG 26 Ca -0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1n02 h ARG 26 Cb 0.71 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1n02 h ARG 26 CO 0.20 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 1n02 n ALA 27 N -2.51 2.49 -3.20 0.04 0.00 -1.26 -4.87 120.51 111.21 1n02 n ALA 27 Ca -0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1n02 n ALA 27 Cb 0.15 -1.01 0.05 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 -0.23 -5.15 -5.19 0.00 1.13 -0.66 -5.03 117.38 102.25 1n02 n GLN 28 Ca 0.04 0.55 -0.32 0.00 -1.94 0.00 0.00 57.00 55.33 1n02 n GLN 28 Cb 0.09 -4.74 -0.16 0.00 0.11 0.00 0.00 30.24 25.54 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 -5.83 2.50 -0.20 -1.09 -0.21 -1.26 -4.87 119.66 108.70 1n02 s GLN 29 Ca 0.38 -0.87 -0.16 0.00 0.02 0.00 0.00 55.36 54.72 1n02 s GLN 29 Cb -0.17 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1n02 s GLN 29 CO 0.47 0.44 0.43 -0.06 -2.12 0.00 0.00 175.29 174.45 1n02 s PHE 30 N -0.31 3.37 0.06 0.91 0.40 -1.26 0.11 117.98 121.26 1n02 s PHE 30 Ca 0.01 0.64 0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1n02 s PHE 30 Cb -0.13 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 1n02 s PHE 30 CO 0.02 -0.04 -0.13 0.14 0.70 0.00 0.00 175.22 175.91 1n02 s VAL 31 N 1.42 1.01 0.27 -0.44 -7.23 -1.09 -4.94 120.40 109.39 1n02 s VAL 31 Ca 0.20 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 1n02 s VAL 31 Cb -0.15 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1n02 s VAL 31 CO 0.08 -0.20 1.20 -0.44 -0.31 0.00 0.00 175.10 175.43 1n02 s SER 32 N -1.56 7.06 0.09 4.85 0.01 -1.26 -1.21 113.70 121.68 1n02 s SER 32 Ca -0.02 2.39 -0.05 0.00 1.31 0.00 0.00 55.95 59.58 1n02 s SER 32 Cb -0.09 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1n02 s SER 32 CO 0.02 -0.33 0.11 0.28 0.41 0.00 0.00 173.24 173.73 1n02 s THR 33 N -0.83 0.15 0.03 1.44 -1.32 0.31 -4.90 115.64 110.52 1n02 s THR 33 Ca 0.48 -1.50 -0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1n02 s THR 33 Cb -0.35 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 1n02 s THR 33 CO 0.43 -0.70 -0.03 -0.75 -2.21 0.00 0.00 174.62 171.36 1n02 s LYS 34 N -3.91 0.46 -0.04 7.08 2.36 -1.26 -0.33 119.74 124.09 1n02 s LYS 34 Ca 0.09 -0.90 -0.01 0.00 -2.55 0.00 0.00 55.97 52.61 1n02 s LYS 34 Cb 0.06 0.14 0.03 0.00 -1.05 0.00 0.00 37.83 37.01 1n02 s LYS 34 CO -0.08 -0.07 0.02 -1.50 1.55 0.00 0.00 175.35 175.26 1n02 s ILE 35 N -2.59 0.15 -0.24 5.43 1.10 0.13 -4.41 121.20 120.76 1n02 s ILE 35 Ca -0.05 0.18 -0.21 0.00 -0.51 0.00 0.00 60.65 60.06 1n02 s ILE 35 Cb -0.02 -0.30 -0.02 0.00 0.15 0.00 0.00 42.46 42.27 1n02 s ILE 35 CO -0.05 0.18 0.65 0.21 -2.11 0.00 0.00 174.94 173.82 1n02 s ASN 36 N 1.53 6.63 0.13 4.50 3.84 -1.26 -0.47 114.94 129.84 1n02 s ASN 36 Ca -0.03 0.77 0.24 0.00 0.21 0.00 0.00 52.86 54.05 1n02 s ASN 36 Cb -0.13 -2.35 0.27 0.00 -0.55 0.00 0.00 41.25 38.49 1n02 s ASN 36 CO -0.03 -0.37 1.26 -0.07 -2.79 0.00 0.00 177.10 175.10 1n02 h LEU 37 N 8.83 0.00 -0.73 3.21 4.07 -0.80 -3.32 115.31 126.56 1n02 h LEU 37 Ca -0.27 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 57.54 1n02 h LEU 37 Cb 1.12 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.81 1n02 h LEU 37 CO 0.79 0.10 0.45 -2.24 -1.08 0.00 0.00 178.44 176.45 1n02 h ASP 38 N 0.00 0.71 0.41 -0.43 2.03 -1.43 1.00 116.42 118.71 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 0.79 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1n02 h ASP 38 CO 0.00 0.47 -0.72 -0.90 -1.03 0.00 0.00 179.24 177.06 1n02 n ASP 39 N -4.68 0.64 -0.03 4.15 5.75 -1.26 -1.01 116.55 120.10 1n02 n ASP 39 Ca 0.09 -0.36 -0.03 0.00 -0.01 0.00 0.00 54.79 54.47 1n02 n ASP 39 Cb 0.13 0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 40.72 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1n02 n HIS 40 N -1.64 0.09 -2.85 2.11 8.25 -0.89 -3.69 115.22 116.59 1n02 n HIS 40 Ca 0.04 0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 1n02 n HIS 40 Cb 0.36 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.71 4.39 0.22 1.59 1.09 0.34 -0.48 121.20 126.64 1n02 s ILE 41 Ca -0.10 1.49 -0.02 0.00 -1.10 0.00 0.00 60.65 60.92 1n02 s ILE 41 Cb 0.01 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 1n02 s ILE 41 CO 0.15 -0.20 0.18 0.00 -0.10 0.00 0.00 174.94 174.97 1n02 s ALA 42 N -2.03 1.08 -0.28 9.38 0.00 0.32 -3.77 121.76 126.45 1n02 s ALA 42 Ca 0.58 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1n02 s ALA 42 Cb -0.11 1.36 0.03 0.00 0.00 0.00 0.00 23.12 24.40 1n02 s ALA 42 CO 0.16 -0.63 0.00 1.21 0.00 0.00 0.00 175.76 176.50 1n02 s ASN 43 N -3.16 4.74 -0.64 0.00 2.47 -1.26 -1.34 114.94 115.75 1n02 s ASN 43 Ca 0.37 -0.97 -0.02 0.00 0.42 0.00 0.00 52.86 52.67 1n02 s ASN 43 Cb 0.06 -1.74 0.16 0.00 -1.45 0.00 0.00 41.25 38.28 1n02 s ASN 43 CO 0.13 -0.20 0.45 -0.63 -3.72 0.00 0.00 177.10 173.13 1n02 s ILE 44 N 1.35 3.65 -0.78 -5.21 1.09 0.11 -4.66 121.20 116.74 1n02 s ILE 44 Ca -0.01 -3.09 -0.03 0.00 -1.10 0.00 0.00 60.65 56.41 1n02 s ILE 44 Cb -0.18 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1n02 s ILE 44 CO -0.01 -0.89 0.42 -0.67 -0.10 0.00 0.00 174.94 173.69 1n02 n ASP 45 N 3.33 -4.06 0.00 3.58 -0.08 -1.26 -2.83 116.55 115.23 1n02 n ASP 45 Ca 0.09 -0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1n02 n ASP 45 Cb 0.37 -2.84 0.00 0.00 2.34 0.00 0.00 41.12 40.99 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 0.81 3.50 0.27 0.00 -1.13 -4.27 105.19 103.16 1n02 n GLY 46 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.15 3.47 -0.27 2.61 2.01 -1.13 -4.55 115.64 114.64 1n02 s THR 47 Ca 0.00 -0.54 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 1n02 s THR 47 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1n02 s THR 47 CO 0.00 0.56 1.19 -0.76 -0.69 0.00 0.00 174.62 174.92 1n02 s LEU 48 N -0.31 3.98 0.12 4.42 1.43 -1.26 -0.72 118.68 126.34 1n02 s LEU 48 Ca 0.04 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 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 -0.91 -0.00 -0.54 0.23 0.00 0.00 176.35 175.15 1n02 s LYS 49 N 3.77 0.88 -0.22 1.70 1.02 -0.45 -4.90 119.74 121.55 1n02 s LYS 49 Ca 0.51 -1.39 -0.23 0.00 0.02 0.00 0.00 55.97 54.88 1n02 s LYS 49 Cb -0.16 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1n02 s LYS 49 CO 0.17 -0.14 0.73 -1.58 -0.92 0.00 0.00 175.35 173.61 1n02 s TRP 50 N -3.83 3.35 -0.27 3.18 0.51 -1.26 0.12 118.94 120.73 1n02 s TRP 50 Ca 0.17 1.04 -0.27 0.00 -2.12 0.00 0.00 56.10 54.92 1n02 s TRP 50 Cb 0.07 -2.93 0.17 0.00 -0.81 0.00 0.00 33.47 29.97 1n02 s TRP 50 CO -0.02 -0.28 1.29 -1.14 -0.51 0.00 0.00 176.95 176.28 1n02 s GLN 51 N 2.35 0.21 -0.45 4.98 0.74 0.37 -4.85 119.66 123.00 1n02 s GLN 51 Ca 0.32 0.14 -0.27 0.00 0.05 0.00 0.00 55.36 55.60 1n02 s GLN 51 Cb -0.16 0.10 -0.27 0.00 1.10 0.00 0.00 33.01 33.78 1n02 s GLN 51 CO 0.10 -0.05 1.78 -0.35 -0.55 0.00 0.00 175.29 176.22 1n02 n PRO 52 N 1.21 0.66 -3.64 1.67 -0.04 -1.24 -3.82 135.00 129.80 1n02 n PRO 52 Ca -0.07 -1.47 -0.08 0.00 -0.04 0.00 0.00 63.50 61.84 1n02 n PRO 52 Cb 0.58 -2.86 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 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 6.38 -0.76 -0.47 3.54 1.04 -1.25 -4.99 113.70 117.19 1n02 s SER 53 Ca 0.66 1.28 -0.28 0.00 0.48 0.00 0.00 55.95 58.09 1n02 s SER 53 Cb 0.12 1.31 0.03 0.00 0.10 0.00 0.00 66.02 67.58 1n02 s SER 53 CO 0.24 -0.21 1.09 0.20 0.98 0.00 0.00 173.24 175.54 1n02 s ASN 54 N 1.14 6.61 0.55 7.02 0.01 -0.18 -3.15 114.94 126.95 1n02 s ASN 54 Ca -0.06 0.40 0.35 0.00 -0.71 0.00 0.00 52.86 52.84 1n02 s ASN 54 Cb -0.05 -2.53 1.51 0.00 0.41 0.00 0.00 41.25 40.59 1n02 s ASN 54 CO -0.13 -1.21 1.81 2.19 -1.51 0.00 0.00 177.10 178.26 1n02 h PHE 55 N 9.18 0.00 0.00 2.20 -5.15 -1.79 -0.66 116.94 120.72 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 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 1n02 h PHE 55 CO 0.95 0.00 0.54 0.66 -2.00 0.00 0.00 178.31 178.46 1n02 h SER 56 N 0.00 0.00 0.03 -0.68 4.64 -1.88 -0.07 113.55 115.58 1n02 h SER 56 Ca 0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.80 1n02 h SER 56 Cb 2.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1n02 h SER 56 CO -0.01 0.00 -0.05 1.56 -0.87 0.00 0.00 176.83 177.46 1n02 h GLN 57 N 0.00 0.06 0.00 4.77 1.08 -1.53 -3.16 115.11 116.33 1n02 h GLN 57 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1n02 h GLN 57 Cb 1.08 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1n02 h GLN 57 CO 0.00 0.12 0.00 0.25 -0.95 0.00 0.00 178.83 178.25 1n02 n THR 58 N -4.44 0.00 -4.22 -0.54 -2.24 -0.14 -5.07 114.28 97.64 1n02 n THR 58 Ca -0.02 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1n02 n THR 58 Cb 0.15 1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.23 0.30 -1.00 0.00 1.13 0.42 -4.58 117.35 112.40 1n02 s TYR 60 Ca 0.23 -0.71 -0.03 0.00 -1.41 0.00 0.00 57.07 55.15 1n02 s TYR 60 Cb -0.11 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1n02 s TYR 60 CO 0.15 -0.40 0.85 0.09 -2.51 0.00 0.00 175.55 173.73 1n02 n ASN 61 N 0.41 -3.25 -4.75 -0.18 3.02 -1.26 -2.79 115.26 106.47 1n02 n ASN 61 Ca -0.17 -0.47 -0.41 0.00 -0.03 0.00 0.00 54.58 53.50 1n02 n ASN 61 Cb 0.60 -4.17 -0.03 0.00 -0.61 0.00 0.00 39.78 35.57 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 -3.80 6.91 0.02 6.41 0.01 -1.26 -4.26 113.70 117.74 1n02 s SER 62 Ca 0.16 2.46 -0.04 0.00 1.31 0.00 0.00 55.95 59.85 1n02 s SER 62 Cb -0.07 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1n02 s SER 62 CO 0.58 -0.48 0.05 0.00 0.41 0.00 0.00 173.24 173.81 1n02 s ALA 63 N -0.41 -0.04 -0.01 1.44 0.00 0.40 -4.95 121.76 118.19 1n02 s ALA 63 Ca 0.53 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1n02 s ALA 63 Cb -0.37 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1n02 s ALA 63 CO 0.43 -0.22 -0.12 0.42 0.00 0.00 0.00 175.76 176.27 1n02 s ILE 64 N -1.82 0.96 -0.17 0.00 1.01 -1.26 0.13 121.20 120.05 1n02 s ILE 64 Ca -0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1n02 s ILE 64 Cb -0.06 -0.81 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1n02 s ILE 64 CO -0.01 0.28 0.05 -1.10 0.00 0.00 0.00 174.94 174.15 1n02 s GLN 65 N -0.19 0.45 7.92 2.79 -0.21 -0.56 -4.54 119.66 125.32 1n02 s GLN 65 Ca 0.03 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1n02 s GLN 65 Cb -0.06 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 32.06 1n02 s GLN 65 CO -0.00 -0.62 0.00 0.41 -2.12 0.00 0.00 175.29 172.96 1n02 n GLY 66 N 5.13 3.56 0.56 3.09 0.00 -1.26 -2.09 105.19 114.18 1n02 n GLY 66 Ca -0.08 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 8.58 2.14 -4.81 1.61 3.41 -1.26 -4.74 113.62 118.55 1n02 n SER 67 Ca 0.00 -1.57 -0.36 0.00 -0.26 0.00 0.00 58.87 56.68 1n02 n SER 67 Cb 0.00 0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.28 5.21 -0.24 -3.33 1.01 -0.89 -1.92 120.40 117.96 1n02 s VAL 68 Ca 0.19 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 1n02 s VAL 68 Cb 0.17 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1n02 s VAL 68 CO 0.49 0.59 0.12 -0.22 0.00 0.00 0.00 175.10 176.08 1n02 s LEU 69 N -0.78 3.84 -0.16 3.92 2.96 -0.63 -1.50 118.68 126.33 1n02 s LEU 69 Ca 0.13 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1n02 s LEU 69 Cb -0.12 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1n02 s LEU 69 CO 0.03 0.04 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.09 1n02 s THR 70 N 1.19 2.97 0.03 3.68 2.01 0.34 -2.88 115.64 122.99 1n02 s THR 70 Ca 0.06 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 1n02 s THR 70 Cb -0.14 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.12 1n02 s THR 70 CO 0.05 0.50 0.36 -0.55 -0.69 0.00 0.00 174.62 174.29 1n02 s SER 71 N 0.79 -0.22 -0.19 3.53 0.15 -1.19 0.15 113.70 116.73 1n02 s SER 71 Ca -0.04 -0.03 -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 0.01 -0.61 0.41 -0.89 1.20 0.00 0.00 173.24 173.36 1n02 s THR 72 N -2.27 5.20 0.02 6.45 2.01 -1.12 -1.68 115.64 124.25 1n02 s THR 72 Ca -0.07 0.75 0.06 0.00 0.31 0.00 0.00 61.69 62.75 1n02 s THR 72 Cb -0.02 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1n02 s THR 72 CO -0.01 0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 174.00 1n02 s GLU 74 N -0.82 4.68 0.07 0.00 2.12 0.15 0.82 118.70 125.72 1n02 s GLU 74 Ca 0.06 1.73 -0.13 0.00 0.36 0.00 0.00 54.97 57.00 1n02 s GLU 74 Cb -0.08 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1n02 s GLU 74 CO 0.01 0.27 0.44 1.03 -0.54 0.00 0.00 175.26 176.47 1n02 s ARG 75 N -1.41 3.87 0.54 4.30 0.52 -0.91 -2.85 118.95 123.01 1n02 s ARG 75 Ca 0.44 0.34 0.30 0.00 -0.52 0.00 0.00 55.73 56.28 1n02 s ARG 75 Cb -0.31 -3.05 1.46 0.00 0.52 0.00 0.00 34.95 33.58 1n02 s ARG 75 CO 0.39 0.58 1.91 1.15 0.02 0.00 0.00 175.30 179.35 1n02 h THR 76 N 3.10 0.58 -0.03 0.02 2.02 -1.92 0.71 112.91 117.39 1n02 h THR 76 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 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 0.65 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.34 1n02 n ASN 77 N -4.26 0.41 0.00 4.18 4.05 -1.26 -4.98 115.26 113.39 1n02 n ASN 77 Ca 0.16 -1.39 0.00 0.00 0.45 0.00 0.00 54.58 53.80 1n02 n ASN 77 Cb 0.87 -0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.86 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1n02 n GLY 78 N 0.92 0.08 0.00 8.20 0.00 0.25 -5.13 105.19 109.51 1n02 n GLY 78 Ca 0.17 -1.33 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 1.35 0.23 3.12 -0.02 0.00 -1.26 -4.68 105.19 103.94 1n02 n GLY 79 Ca 0.00 -2.30 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.48 1.26 -0.20 1.61 2.02 -1.26 -2.15 117.35 118.15 1n02 s TYR 80 Ca 0.00 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 1n02 s TYR 80 Cb 0.00 -0.79 0.06 0.00 -0.40 0.00 0.00 41.96 40.83 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 -0.58 -0.64 -0.06 2.29 3.84 0.24 -4.91 114.94 115.12 1n02 s ASN 81 Ca 0.04 1.07 -0.17 0.00 0.21 0.00 0.00 52.86 54.02 1n02 s ASN 81 Cb -0.06 0.95 -0.05 0.00 -0.55 0.00 0.00 41.25 41.54 1n02 s ASN 81 CO 0.00 -0.21 0.44 0.28 -2.79 0.00 0.00 177.10 174.83 1n02 s THR 82 N 1.43 5.10 0.23 -5.21 -1.32 -1.26 0.87 115.64 115.49 1n02 s THR 82 Ca -0.09 0.90 0.11 0.00 -1.21 0.00 0.00 61.69 61.40 1n02 s THR 82 Cb -0.07 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1n02 s THR 82 CO -0.14 0.44 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.57 1n02 s SER 83 N -0.16 3.31 0.06 8.08 1.04 -0.67 -4.92 113.70 120.45 1n02 s SER 83 Ca 0.25 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 55.79 1n02 s SER 83 Cb -0.16 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 1n02 s SER 83 CO 0.12 0.03 -0.23 -0.55 0.98 0.00 0.00 173.24 173.59 1n02 s SER 84 N -3.16 2.74 -0.06 7.02 0.15 -1.26 -3.14 113.70 115.99 1n02 s SER 84 Ca 0.25 -0.59 -0.09 0.00 0.70 0.00 0.00 55.95 56.22 1n02 s SER 84 Cb -0.05 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1n02 s SER 84 CO 0.12 0.17 0.22 -0.51 1.20 0.00 0.00 173.24 174.43 1n02 s ILE 85 N -0.89 0.02 -0.32 6.45 2.07 -1.14 -4.92 121.20 122.48 1n02 s ILE 85 Ca 0.09 -0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 58.97 1n02 s ILE 85 Cb -0.09 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 1n02 s ILE 85 CO 0.03 -0.11 0.39 -0.62 -1.91 0.00 0.00 174.94 172.72 1n02 s ASP 86 N -0.37 6.23 0.00 4.50 2.15 -1.26 -1.61 116.67 126.31 1n02 s ASP 86 Ca -0.05 0.00 0.24 0.00 0.43 0.00 0.00 52.55 53.17 1n02 s ASP 86 Cb -0.03 -2.21 0.28 0.00 -0.30 0.00 0.00 42.92 40.65 1n02 s ASP 86 CO 0.01 -0.31 1.27 0.18 -0.17 0.00 0.00 175.17 176.15 1n02 n LEU 87 N 5.43 1.58 -0.29 -1.34 4.77 -0.81 -4.45 117.00 121.88 1n02 n LEU 87 Ca -0.08 -0.55 0.34 0.00 -0.03 0.00 0.00 56.01 55.70 1n02 n LEU 87 Cb 0.50 -0.05 0.67 0.00 -2.33 0.00 0.00 43.42 42.20 1n02 n LEU 87 CO 0.40 0.30 1.31 -1.13 -1.33 0.00 0.00 177.39 176.94 1n02 h ASN 88 N 1.82 0.00 0.27 -1.43 -0.00 -1.87 0.26 115.58 114.63 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 0.65 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 0.28 -0.00 0.00 0.00 177.43 176.18 1n02 h SER 89 N 0.00 0.79 0.11 1.15 0.02 -1.95 0.70 113.55 114.37 1n02 h SER 89 Ca 0.55 -0.89 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1n02 h SER 89 Cb 2.59 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.87 1n02 h SER 89 CO -0.01 1.71 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.97 1n02 h VAL 90 N 0.14 1.01 -3.81 2.27 -1.51 -0.81 -3.26 116.25 110.29 1n02 h VAL 90 Ca -0.27 -1.27 -0.48 0.00 -1.23 0.00 0.00 66.70 63.45 1n02 h VAL 90 Cb 2.15 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 33.01 1n02 h VAL 90 CO 0.26 0.27 0.22 -0.63 -1.23 0.00 0.00 177.57 176.46 1n02 s ILE 91 N -3.33 4.46 0.15 7.19 1.09 -0.86 0.14 121.20 130.04 1n02 s ILE 91 Ca -0.13 1.39 -0.00 0.00 -1.10 0.00 0.00 60.65 60.80 1n02 s ILE 91 Cb 0.00 -3.77 -0.04 0.00 -1.06 0.00 0.00 42.46 37.59 1n02 s ILE 91 CO 0.51 -0.03 0.06 -0.70 -0.10 0.00 0.00 174.94 174.68 1n02 s GLU 92 N -2.53 1.02 -0.47 2.79 2.12 0.33 -3.11 118.70 118.85 1n02 s GLU 92 Ca 0.52 -1.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.27 1n02 s GLU 92 Cb -0.14 0.15 0.12 0.00 0.26 0.00 0.00 34.13 34.52 1n02 s GLU 92 CO 0.19 -0.26 0.34 1.21 -0.54 0.00 0.00 175.26 176.19 1n02 s ASN 93 N -3.10 5.66 -0.65 -1.70 2.47 -1.26 -0.37 114.94 116.00 1n02 s ASN 93 Ca 0.27 -1.95 -0.16 0.00 0.42 0.00 0.00 52.86 51.43 1n02 s ASN 93 Cb 0.07 -1.99 0.14 0.00 -1.45 0.00 0.00 41.25 38.03 1n02 s ASN 93 CO 0.04 -0.67 0.66 -0.69 -3.72 0.00 0.00 177.10 172.72 1n02 s VAL 94 N 1.30 5.17 -1.34 -5.21 1.01 0.13 -4.48 120.40 116.98 1n02 s VAL 94 Ca 0.06 -1.60 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 1n02 s VAL 94 Cb -0.26 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.71 1n02 s VAL 94 CO -0.01 -1.02 0.32 -0.67 0.00 0.00 0.00 175.10 173.71 1n02 n ASP 95 N 5.31 -4.66 0.00 3.32 2.03 -1.26 -1.82 116.55 119.47 1n02 n ASP 95 Ca -0.04 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1n02 n ASP 95 Cb 0.43 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 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 -1.14 1.30 2.84 0.27 0.00 -1.26 -4.67 105.19 102.54 1n02 n GLY 96 Ca -0.11 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1n02 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n02 s SER 97 N -2.37 0.01 -0.17 1.61 1.04 -0.76 -4.50 113.70 108.57 1n02 s SER 97 Ca 0.00 0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 1n02 s SER 97 Cb 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1n02 s SER 97 CO 0.00 -0.06 1.32 -0.76 0.98 0.00 0.00 173.24 174.73 1n02 s LEU 98 N 0.45 4.16 -0.03 2.42 1.43 -1.24 0.20 118.68 126.07 1n02 s LEU 98 Ca -0.04 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.82 1n02 s LEU 98 Cb -0.05 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1n02 s LEU 98 CO -0.01 -0.83 -0.20 -0.54 0.23 0.00 0.00 176.35 175.00 1n02 s LYS 99 N 3.66 1.79 0.44 1.70 1.02 0.50 -4.81 119.74 124.05 1n02 s LYS 99 Ca 0.57 -0.72 -0.21 0.00 0.02 0.00 0.00 55.97 55.64 1n02 s LYS 99 Cb -0.23 -1.65 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 1n02 s LYS 99 CO 0.17 0.38 0.96 -0.47 -0.92 0.00 0.00 175.35 175.48 1n02 s TYR 100 N -0.31 3.27 0.00 3.18 6.14 -1.25 0.12 117.35 128.50 1n02 s TYR 100 Ca 0.04 1.60 0.00 0.00 0.64 0.00 0.00 57.07 59.34 1n02 s TYR 100 Cb -0.09 -2.88 0.00 0.00 0.42 0.00 0.00 41.96 39.41 1n02 s TYR 100 CO 0.00 -0.23 0.00 -1.91 0.64 0.00 0.00 175.55 174.05