#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 -0.74 0.00 0.99 -0.00 -1.26 -5.06 117.00 110.93 1n02 n LEU 1 Ca 0.00 -1.79 0.00 0.00 -0.00 0.00 0.00 56.01 54.22 1n02 n LEU 1 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1n02 n LEU 1 CO 0.00 1.27 0.00 0.61 -0.00 0.00 0.00 177.39 179.27 1n02 n GLY 2 N -0.49 0.11 2.76 1.47 0.00 -1.21 -5.01 105.19 102.82 1n02 n GLY 2 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.06 -1.43 -0.02 1.61 5.02 0.18 -4.69 118.16 117.77 1n02 n LYS 3 Ca 0.00 1.53 -0.19 0.00 -2.02 0.00 0.00 58.31 57.63 1n02 n LYS 3 Cb 0.00 -5.09 -0.14 0.00 -0.02 0.00 0.00 35.03 29.79 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 -1.20 1.00 0.31 2.13 -1.74 -1.18 -4.07 117.46 112.71 1n02 n PHE 4 Ca 0.03 0.23 0.11 0.00 -0.56 0.00 0.00 57.45 57.27 1n02 n PHE 4 Cb 0.46 -1.14 0.52 0.00 1.52 0.00 0.00 39.48 40.84 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 -3.37 0.92 0.12 1.97 0.13 -1.26 -1.21 119.36 116.66 1n02 n ILE 5 Ca -0.32 0.41 -0.00 0.00 -1.10 0.00 0.00 62.75 61.73 1n02 n ILE 5 Cb 1.04 -1.36 0.07 0.00 -0.84 0.00 0.00 39.64 38.55 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 -0.04 9.51 3.07 -1.97 -3.25 114.58 121.90 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1n02 h GLU 6 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1n02 h GLU 6 CO 0.00 0.65 0.00 0.25 -1.40 0.00 0.00 179.01 178.51 1n02 n THR 7 N -3.41 1.86 -4.17 1.13 -2.24 -0.68 -5.03 114.28 101.75 1n02 n THR 7 Ca 0.00 -2.10 -0.15 0.00 -2.27 0.00 0.00 64.05 59.53 1n02 n THR 7 Cb 0.74 -0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.61 1.56 -1.20 0.00 1.70 -0.05 -4.77 118.95 113.58 1n02 s ARG 9 Ca 0.04 -1.88 -0.17 0.00 -0.47 0.00 0.00 55.73 53.25 1n02 s ARG 9 Cb -0.04 -0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.01 1n02 s ARG 9 CO 0.00 -0.36 0.72 0.27 -1.08 0.00 0.00 175.30 174.85 1n02 n ASN 10 N -0.75 -4.17 -4.72 -2.89 0.23 -1.26 -1.99 115.26 99.71 1n02 n ASN 10 Ca -0.01 -1.02 -0.41 0.00 -0.53 0.00 0.00 54.58 52.61 1n02 n ASN 10 Cb 0.66 -3.28 -0.04 0.00 -2.08 0.00 0.00 39.78 35.03 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 -3.57 4.60 0.20 5.53 -4.23 -1.26 -4.24 115.64 112.67 1n02 s THR 11 Ca 0.37 2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 62.73 1n02 s THR 11 Cb -0.14 -4.31 0.04 0.00 1.34 0.00 0.00 72.50 69.44 1n02 s THR 11 CO 0.87 0.27 0.60 0.00 -0.54 0.00 0.00 174.62 175.82 1n02 s GLN 12 N 0.31 1.43 -0.11 3.99 -2.07 -0.84 -4.43 119.66 117.95 1n02 s GLN 12 Ca 0.49 -0.72 -0.11 0.00 -1.82 0.00 0.00 55.36 53.20 1n02 s GLN 12 Cb -0.23 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 1n02 s GLN 12 CO 0.29 -0.63 0.24 -1.17 -1.32 0.00 0.00 175.29 172.70 1n02 s LEU 13 N -2.83 4.35 0.03 2.60 2.96 -1.26 -0.90 118.68 123.63 1n02 s LEU 13 Ca 0.06 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 1n02 s LEU 13 Cb -0.02 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n02 s LEU 13 CO -0.05 0.29 -0.26 0.00 -1.32 0.00 0.00 176.35 175.01 1n02 s ALA 14 N -0.52 2.21 0.00 5.97 0.00 0.41 -4.87 121.76 124.95 1n02 s ALA 14 Ca 0.16 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1n02 s ALA 14 Cb -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1n02 s ALA 14 CO 0.05 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1n02 n GLY 15 N 1.95 1.03 0.12 0.00 0.00 -1.26 -1.09 105.19 105.93 1n02 n GLY 15 Ca -0.17 -0.61 -0.19 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 8.34 0.42 -0.20 1.61 0.02 -1.97 -3.42 113.55 118.35 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 62.04 1n02 h SER 16 CO 0.00 1.58 -0.99 -1.54 -1.14 0.00 0.00 176.83 174.73 1n02 n SER 17 N -3.46 1.02 -4.53 3.07 3.41 -1.25 -4.66 113.62 107.23 1n02 n SER 17 Ca -0.22 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.08 1n02 n SER 17 Cb 1.05 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 64.60 1n02 n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n02 s GLU 18 N -1.80 1.96 -0.13 4.33 8.01 -0.25 -1.16 118.70 129.65 1n02 s GLU 18 Ca 0.27 -1.09 0.02 0.00 0.01 0.00 0.00 54.97 54.18 1n02 s GLU 18 Cb 0.34 -2.21 0.01 0.00 -4.31 0.00 0.00 34.13 27.97 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 -2.13 1.88 0.02 1.80 2.96 -0.15 0.15 118.68 123.22 1n02 s LEU 19 Ca 0.19 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1n02 s LEU 19 Cb -0.11 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1n02 s LEU 19 CO 0.11 0.02 -0.25 0.00 -1.32 0.00 0.00 176.35 174.92 1n02 s ALA 20 N 1.04 2.28 0.28 5.97 0.00 -0.08 0.10 121.76 131.35 1n02 s ALA 20 Ca -0.04 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 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 0.81 0.00 0.00 0.00 0.00 175.76 177.06 1n02 s ALA 21 N -0.76 -1.21 -0.11 0.00 0.00 0.75 -1.98 121.76 118.45 1n02 s ALA 21 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1n02 s ALA 21 Cb -0.10 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 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 -3.27 3.23 -0.05 0.00 2.02 -0.84 0.66 118.70 120.46 1n02 s GLU 22 Ca 0.13 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.63 1n02 s GLU 22 Cb -0.05 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1n02 s GLU 22 CO 0.07 0.46 -0.10 0.00 0.02 0.00 0.00 175.26 175.71 1n02 s LYS 24 N 0.54 4.30 0.71 0.00 -2.85 -1.12 -2.64 119.74 118.69 1n02 s LYS 24 Ca -0.10 2.26 -0.07 0.00 -1.00 0.00 0.00 55.97 57.06 1n02 s LYS 24 Cb -0.13 -3.10 0.15 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.02 -0.33 0.97 0.25 0.10 0.00 0.00 175.35 176.36 1n02 n THR 25 N 1.69 0.00 0.26 3.79 -2.24 0.28 -3.85 114.28 114.21 1n02 n THR 25 Ca 0.04 -1.08 0.09 0.00 -2.27 0.00 0.00 64.05 60.83 1n02 n THR 25 Cb 0.41 -1.27 0.68 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 -0.10 -0.78 2.47 -1.88 -1.29 114.38 112.80 1n02 h ARG 26 Ca -0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1n02 h ARG 26 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1n02 h ARG 26 CO 0.28 0.02 0.00 0.00 0.56 0.00 0.00 179.97 180.82 1n02 n ALA 27 N -2.49 2.50 -2.97 0.04 0.00 -1.26 -4.87 120.51 111.46 1n02 n ALA 27 Ca -0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1n02 n ALA 27 Cb 0.10 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -4.16 -5.16 0.00 6.02 -0.49 -5.02 117.38 108.34 1n02 n GLN 28 Ca 0.05 0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 57.31 1n02 n GLN 28 Cb 0.10 -4.80 -0.15 0.00 1.02 0.00 0.00 30.24 26.41 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 -5.55 2.43 -0.20 -1.09 -1.52 -1.26 -4.87 119.66 107.61 1n02 s GLN 29 Ca 0.28 -0.85 -0.17 0.00 -1.95 0.00 0.00 55.36 52.68 1n02 s GLN 29 Cb -0.13 -2.20 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 1n02 s GLN 29 CO 0.35 0.49 0.45 -0.06 -0.25 0.00 0.00 175.29 176.28 1n02 s PHE 30 N -0.43 3.38 0.08 0.91 0.40 -1.26 1.00 117.98 122.06 1n02 s PHE 30 Ca 0.05 0.69 0.06 0.00 -0.60 0.00 0.00 56.93 57.13 1n02 s PHE 30 Cb -0.12 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.79 1n02 s PHE 30 CO 0.01 -0.04 -0.17 0.14 0.70 0.00 0.00 175.22 175.87 1n02 s VAL 31 N 1.41 1.36 0.17 -0.44 -7.23 -1.08 -4.93 120.40 109.66 1n02 s VAL 31 Ca 0.21 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1n02 s VAL 31 Cb -0.15 -1.27 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 1n02 s VAL 31 CO 0.09 -0.16 1.27 -0.55 -0.31 0.00 0.00 175.10 175.44 1n02 s SER 32 N -1.82 6.96 0.10 4.85 0.15 -1.26 -1.06 113.70 121.62 1n02 s SER 32 Ca 0.02 2.30 -0.06 0.00 0.70 0.00 0.00 55.95 58.91 1n02 s SER 32 Cb -0.10 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1n02 s SER 32 CO 0.03 -0.49 0.14 0.28 1.20 0.00 0.00 173.24 174.40 1n02 s THR 33 N 0.27 0.14 0.05 6.45 -1.32 0.21 -4.90 115.64 116.55 1n02 s THR 33 Ca 0.57 -1.45 -0.04 0.00 -1.21 0.00 0.00 61.69 59.55 1n02 s THR 33 Cb -0.35 -1.55 -0.02 0.00 -1.51 0.00 0.00 72.50 69.07 1n02 s THR 33 CO 0.36 -0.65 0.07 -0.75 -2.21 0.00 0.00 174.62 171.44 1n02 s LYS 34 N -3.92 0.65 -0.04 7.08 2.20 -1.26 -0.18 119.74 124.28 1n02 s LYS 34 Ca 0.10 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1n02 s LYS 34 Cb 0.06 0.25 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1n02 s LYS 34 CO -0.07 -0.16 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.25 1n02 s ILE 35 N -3.38 0.24 -0.32 5.43 1.10 0.12 -4.42 121.20 119.98 1n02 s ILE 35 Ca 0.02 0.07 -0.22 0.00 -0.51 0.00 0.00 60.65 60.00 1n02 s ILE 35 Cb 0.03 -0.34 -0.00 0.00 0.15 0.00 0.00 42.46 42.30 1n02 s ILE 35 CO -0.08 0.17 0.72 0.21 -2.11 0.00 0.00 174.94 173.85 1n02 s ASN 36 N 1.13 6.58 0.13 4.50 3.84 -1.26 -0.98 114.94 128.87 1n02 s ASN 36 Ca -0.08 0.52 0.25 0.00 0.21 0.00 0.00 52.86 53.75 1n02 s ASN 36 Cb -0.14 -2.37 0.49 0.00 -0.55 0.00 0.00 41.25 38.68 1n02 s ASN 36 CO -0.02 -0.58 1.45 0.18 -2.79 0.00 0.00 177.10 175.34 1n02 n LEU 37 N 6.11 0.70 -0.07 3.21 4.32 -0.31 -3.74 117.00 127.21 1n02 n LEU 37 Ca 0.02 0.30 -0.07 0.00 -0.02 0.00 0.00 56.01 56.24 1n02 n LEU 37 Cb 0.48 -0.23 -0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1n02 n LEU 37 CO 0.49 -0.07 0.88 0.44 -1.22 0.00 0.00 177.39 177.90 1n02 h ASP 38 N 0.00 -0.05 0.43 -1.43 5.19 -1.58 1.11 116.42 120.08 1n02 h ASP 38 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1n02 h ASP 38 Cb 0.72 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1n02 h ASP 38 CO 0.00 0.01 -0.62 0.47 -3.12 0.00 0.00 179.24 175.98 1n02 n ASP 39 N -5.12 0.60 -0.05 6.45 8.00 -1.26 -1.09 116.55 124.08 1n02 n ASP 39 Ca -0.00 -0.36 -0.04 0.00 0.71 0.00 0.00 54.79 55.10 1n02 n ASP 39 Cb 0.13 0.40 -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 0.21 -2.82 1.24 8.25 -1.00 -3.74 115.22 115.80 1n02 n HIS 40 Ca 0.05 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 1n02 n HIS 40 Cb 0.34 -0.38 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.90 4.36 0.23 1.59 1.09 0.38 -0.50 121.20 126.44 1n02 s ILE 41 Ca -0.13 1.55 -0.01 0.00 -1.10 0.00 0.00 60.65 60.97 1n02 s ILE 41 Cb 0.02 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 1n02 s ILE 41 CO 0.19 -0.19 0.19 0.00 -0.10 0.00 0.00 174.94 175.03 1n02 s ALA 42 N -2.02 1.15 -0.29 9.38 0.00 0.34 -3.73 121.76 126.59 1n02 s ALA 42 Ca 0.59 -1.69 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1n02 s ALA 42 Cb -0.12 1.37 0.03 0.00 0.00 0.00 0.00 23.12 24.41 1n02 s ALA 42 CO 0.16 -0.63 0.01 1.21 0.00 0.00 0.00 175.76 176.51 1n02 s ASN 43 N -3.18 4.81 -0.65 0.00 2.47 -1.26 -1.74 114.94 115.39 1n02 s ASN 43 Ca 0.38 -1.05 -0.02 0.00 0.42 0.00 0.00 52.86 52.59 1n02 s ASN 43 Cb 0.05 -1.74 0.17 0.00 -1.45 0.00 0.00 41.25 38.28 1n02 s ASN 43 CO 0.14 -0.22 0.46 -0.63 -3.72 0.00 0.00 177.10 173.13 1n02 s ILE 44 N 1.33 3.68 -0.86 -5.21 1.09 -0.27 -4.67 121.20 116.28 1n02 s ILE 44 Ca -0.02 -3.10 -0.04 0.00 -1.10 0.00 0.00 60.65 56.39 1n02 s ILE 44 Cb -0.18 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 37.82 1n02 s ILE 44 CO -0.01 -0.89 0.48 -0.67 -0.10 0.00 0.00 174.94 173.75 1n02 n ASP 45 N 3.32 -4.35 0.00 3.58 -0.08 -1.26 -2.70 116.55 115.05 1n02 n ASP 45 Ca 0.09 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1n02 n ASP 45 Cb 0.37 -3.11 0.00 0.00 2.34 0.00 0.00 41.12 40.72 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 -1.27 0.85 3.54 0.27 0.00 -1.08 -4.21 105.19 103.29 1n02 n GLY 46 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.37 3.79 -0.28 2.61 2.01 -1.10 -4.54 115.64 114.77 1n02 s THR 47 Ca 0.00 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 1n02 s THR 47 Cb 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.91 1n02 s THR 47 CO 0.00 0.55 1.21 -0.76 -0.69 0.00 0.00 174.62 174.93 1n02 s LEU 48 N -0.24 3.96 0.11 4.42 1.43 -1.26 -1.12 118.68 125.98 1n02 s LEU 48 Ca 0.04 1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 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 -0.94 0.02 -0.54 0.23 0.00 0.00 176.35 175.15 1n02 s LYS 49 N 3.84 0.85 -0.12 1.70 1.02 -0.71 -4.89 119.74 121.43 1n02 s LYS 49 Ca 0.52 -1.38 -0.22 0.00 0.02 0.00 0.00 55.97 54.91 1n02 s LYS 49 Cb -0.16 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1n02 s LYS 49 CO 0.18 -0.20 0.66 -1.58 -0.92 0.00 0.00 175.35 173.49 1n02 s TRP 50 N -3.96 3.50 -0.19 3.18 0.51 -1.26 0.13 118.94 120.85 1n02 s TRP 50 Ca 0.19 1.12 -0.30 0.00 -2.12 0.00 0.00 56.10 54.98 1n02 s TRP 50 Cb 0.07 -2.78 0.15 0.00 -0.81 0.00 0.00 33.47 30.10 1n02 s TRP 50 CO -0.02 0.01 1.13 -0.65 -0.51 0.00 0.00 176.95 176.91 1n02 s GLN 51 N 1.17 0.41 -0.90 4.98 -0.21 0.35 -4.81 119.66 120.64 1n02 s GLN 51 Ca 0.34 0.04 -0.09 0.00 0.02 0.00 0.00 55.36 55.66 1n02 s GLN 51 Cb -0.17 0.19 -0.07 0.00 1.00 0.00 0.00 33.01 33.96 1n02 s GLN 51 CO 0.14 -0.14 2.08 -0.35 -2.12 0.00 0.00 175.29 174.90 1n02 n PRO 52 N 0.48 1.99 -3.66 2.91 -0.04 -1.25 -3.97 135.00 131.46 1n02 n PRO 52 Ca -0.06 -1.56 -0.11 0.00 -0.04 0.00 0.00 63.50 61.74 1n02 n PRO 52 Cb 0.58 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 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 3.72 -0.73 -0.45 3.54 1.04 -1.25 -4.98 113.70 114.59 1n02 s SER 53 Ca 0.43 1.30 -0.28 0.00 0.48 0.00 0.00 55.95 57.88 1n02 s SER 53 Cb 0.11 1.25 0.03 0.00 0.10 0.00 0.00 66.02 67.51 1n02 s SER 53 CO -0.00 -0.22 1.10 0.20 0.98 0.00 0.00 173.24 175.29 1n02 s ASN 54 N 0.91 6.65 0.55 7.02 0.01 -0.25 -3.23 114.94 126.60 1n02 s ASN 54 Ca -0.05 0.50 0.36 0.00 -0.71 0.00 0.00 52.86 52.96 1n02 s ASN 54 Cb -0.05 -2.53 1.53 0.00 0.41 0.00 0.00 41.25 40.61 1n02 s ASN 54 CO -0.08 -1.17 1.80 2.19 -1.51 0.00 0.00 177.10 178.33 1n02 h PHE 55 N 9.05 0.00 0.00 2.20 -0.00 -1.78 -0.60 116.94 125.81 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 0.94 0.00 0.49 0.66 -0.00 0.00 0.00 178.31 180.40 1n02 h SER 56 N 0.00 0.00 0.17 -0.68 4.64 -1.88 0.11 113.55 115.91 1n02 h SER 56 Ca 0.53 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.83 1n02 h SER 56 Cb 2.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.28 1n02 h SER 56 CO -0.01 0.00 -0.13 1.56 -0.87 0.00 0.00 176.83 177.38 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.51 -3.17 115.11 119.40 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 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1n02 h GLN 57 CO 0.00 0.13 0.00 0.25 -0.67 0.00 0.00 178.83 178.54 1n02 n THR 58 N -4.19 0.00 -4.25 -0.54 -2.24 -0.06 -5.07 114.28 97.92 1n02 n THR 58 Ca -0.02 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1n02 n THR 58 Cb 0.21 1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.29 -1.04 0.00 1.13 0.35 -4.59 117.35 112.30 1n02 s TYR 60 Ca 0.22 -0.71 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 1n02 s TYR 60 Cb -0.11 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1n02 s TYR 60 CO 0.14 -0.42 0.89 0.09 -2.51 0.00 0.00 175.55 173.74 1n02 n ASN 61 N 0.34 -3.70 -4.75 -0.18 3.02 -1.26 -2.79 115.26 105.94 1n02 n ASN 61 Ca -0.16 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.50 1n02 n ASN 61 Cb 0.60 -4.25 -0.03 0.00 -0.61 0.00 0.00 39.78 35.49 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 -3.72 6.97 0.02 6.41 0.01 -1.26 -4.28 113.70 117.86 1n02 s SER 62 Ca 0.22 2.43 -0.04 0.00 1.31 0.00 0.00 55.95 59.87 1n02 s SER 62 Cb -0.10 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1n02 s SER 62 CO 0.60 -0.42 0.07 0.00 0.41 0.00 0.00 173.24 173.89 1n02 s ALA 63 N -0.54 -0.08 0.00 1.44 0.00 0.45 -4.95 121.76 118.08 1n02 s ALA 63 Ca 0.51 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1n02 s ALA 63 Cb -0.36 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1n02 s ALA 63 CO 0.43 -0.23 -0.12 0.42 0.00 0.00 0.00 175.76 176.25 1n02 s ILE 64 N -1.83 0.98 -0.19 0.00 1.01 -1.26 0.12 121.20 120.03 1n02 s ILE 64 Ca -0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1n02 s ILE 64 Cb -0.06 -0.84 0.06 0.00 0.01 0.00 0.00 42.46 41.63 1n02 s ILE 64 CO -0.01 0.21 0.07 -1.10 0.00 0.00 0.00 174.94 174.11 1n02 s GLN 65 N -0.46 0.39 7.99 2.79 -1.52 -0.71 -4.57 119.66 123.56 1n02 s GLN 65 Ca 0.04 -0.31 0.00 0.00 -1.95 0.00 0.00 55.36 53.13 1n02 s GLN 65 Cb -0.05 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.80 1n02 s GLN 65 CO -0.00 -0.69 0.00 0.41 -0.25 0.00 0.00 175.29 174.76 1n02 n GLY 66 N 5.15 3.60 0.49 3.09 0.00 -1.26 -2.33 105.19 113.92 1n02 n GLY 66 Ca -0.08 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1n02 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n02 n SER 67 N 9.02 2.01 -4.79 1.61 3.41 -1.26 -4.75 113.62 118.86 1n02 n SER 67 Ca 0.00 -1.50 -0.36 0.00 -0.26 0.00 0.00 58.87 56.75 1n02 n SER 67 Cb 0.00 0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.21 -3.33 1.01 -0.98 -1.96 120.40 117.48 1n02 s VAL 68 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1n02 s VAL 68 Cb 0.17 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1n02 s VAL 68 CO 0.55 0.59 0.09 -0.22 0.00 0.00 0.00 175.10 176.10 1n02 s LEU 69 N -1.05 3.81 -0.16 3.92 2.96 -0.54 -1.75 118.68 125.87 1n02 s LEU 69 Ca 0.15 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1n02 s LEU 69 Cb -0.12 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 1n02 s LEU 69 CO 0.04 0.11 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.15 1n02 s THR 70 N 0.76 2.77 0.03 3.68 2.01 0.33 -2.84 115.64 122.38 1n02 s THR 70 Ca 0.04 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 1n02 s THR 70 Cb -0.13 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1n02 s THR 70 CO 0.02 0.51 0.36 -0.55 -0.69 0.00 0.00 174.62 174.27 1n02 s SER 71 N 0.81 -0.23 -0.20 3.53 0.15 -1.18 0.17 113.70 116.75 1n02 s SER 71 Ca -0.05 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 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 0.00 -0.59 0.37 -0.89 1.20 0.00 0.00 173.24 173.32 1n02 s THR 72 N -2.17 5.23 0.04 6.45 2.01 -1.12 -1.67 115.64 124.41 1n02 s THR 72 Ca -0.07 0.65 0.06 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 0.28 -0.18 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.17 4.60 0.11 0.00 2.12 -0.01 0.51 118.70 124.87 1n02 s GLU 74 Ca 0.06 1.77 -0.13 0.00 0.36 0.00 0.00 54.97 57.02 1n02 s GLU 74 Cb -0.08 -3.24 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 1n02 s GLU 74 CO 0.02 0.11 0.48 1.03 -0.54 0.00 0.00 175.26 176.36 1n02 s ARG 75 N -0.76 3.90 0.57 4.30 0.52 -1.10 -2.64 118.95 123.74 1n02 s ARG 75 Ca 0.48 0.37 0.29 0.00 -0.52 0.00 0.00 55.73 56.35 1n02 s ARG 75 Cb -0.31 -2.99 1.46 0.00 0.52 0.00 0.00 34.95 33.64 1n02 s ARG 75 CO 0.37 0.53 1.89 1.15 0.02 0.00 0.00 175.30 179.26 1n02 h THR 76 N 2.91 0.42 -0.02 0.02 2.02 -1.93 0.87 112.91 117.20 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 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 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 -3.87 0.45 0.00 4.18 2.85 -1.26 -4.99 115.26 112.62 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 0.74 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.75 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 0.99 -0.27 0.00 8.20 0.00 0.30 -5.12 105.19 109.30 1n02 n GLY 78 Ca 0.20 -1.35 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 0.81 -0.25 3.04 -0.02 0.00 -1.26 -4.66 105.19 102.86 1n02 n GLY 79 Ca 0.00 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.61 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 0.79 -0.20 1.61 2.02 -1.26 -2.72 117.35 117.59 1n02 s TYR 80 Ca 0.00 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.33 1n02 s TYR 80 Cb 0.00 -0.49 0.06 0.00 -0.40 0.00 0.00 41.96 41.13 1n02 s TYR 80 CO 0.00 -0.02 0.50 1.21 -1.57 0.00 0.00 175.55 175.67 1n02 s ASN 81 N -0.68 -0.64 -0.08 2.29 2.47 0.18 -4.91 114.94 113.59 1n02 s ASN 81 Ca -0.00 1.08 -0.16 0.00 0.42 0.00 0.00 52.86 54.20 1n02 s ASN 81 Cb -0.05 0.97 -0.05 0.00 -1.45 0.00 0.00 41.25 40.67 1n02 s ASN 81 CO 0.00 -0.20 0.40 0.28 -3.72 0.00 0.00 177.10 173.86 1n02 s THR 82 N 1.32 5.15 0.23 -5.21 -1.32 -1.26 0.79 115.64 115.34 1n02 s THR 82 Ca -0.08 0.81 0.11 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 67.15 1n02 s THR 82 CO -0.13 0.45 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.59 1n02 s SER 83 N -0.17 3.27 0.04 8.08 1.04 -0.67 -4.93 113.70 120.36 1n02 s SER 83 Ca 0.23 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 55.77 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 0.10 0.01 -0.23 -0.94 0.98 0.00 0.00 173.24 173.17 1n02 s SER 84 N -3.18 2.75 -0.05 7.02 1.04 -1.26 -3.13 113.70 116.88 1n02 s SER 84 Ca 0.25 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 1n02 s SER 84 Cb -0.05 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1n02 s SER 84 CO 0.11 0.21 0.18 -0.51 0.98 0.00 0.00 173.24 174.21 1n02 s ILE 85 N -0.78 0.02 -0.33 -1.02 2.07 -1.13 -4.92 121.20 115.11 1n02 s ILE 85 Ca 0.09 -0.20 -0.15 0.00 -1.41 0.00 0.00 60.65 58.98 1n02 s ILE 85 Cb -0.09 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1n02 s ILE 85 CO 0.02 -0.11 0.36 -0.62 -1.91 0.00 0.00 174.94 172.68 1n02 s ASP 86 N -0.34 6.19 0.00 4.50 -1.08 -1.26 -1.47 116.67 123.21 1n02 s ASP 86 Ca -0.04 -0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.09 1n02 s ASP 86 Cb -0.03 -2.20 0.27 0.00 -1.46 0.00 0.00 42.92 39.50 1n02 s ASP 86 CO 0.01 -0.31 1.27 0.18 0.52 0.00 0.00 175.17 176.83 1n02 n LEU 87 N 5.38 1.79 -0.24 -1.34 4.77 -0.83 -4.47 117.00 122.06 1n02 n LEU 87 Ca -0.09 -0.62 0.32 0.00 -0.03 0.00 0.00 56.01 55.59 1n02 n LEU 87 Cb 0.50 -0.04 0.63 0.00 -2.33 0.00 0.00 43.42 42.18 1n02 n LEU 87 CO 0.40 0.33 1.29 -1.13 -1.33 0.00 0.00 177.39 176.95 1n02 h ASN 88 N 2.24 0.00 0.21 -1.43 -0.00 -1.87 0.25 115.58 114.98 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 0.69 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.04 1n02 h ASN 88 CO 0.00 0.00 -1.45 0.28 -0.00 0.00 0.00 177.43 176.26 1n02 h SER 89 N 0.00 0.70 0.09 1.15 0.02 -1.95 0.53 113.55 114.10 1n02 h SER 89 Ca 0.51 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1n02 h SER 89 Cb 2.53 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.84 1n02 h SER 89 CO -0.01 1.68 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.95 1n02 h VAL 90 N 0.03 1.12 -3.88 2.27 -1.51 -0.84 -3.20 116.25 110.23 1n02 h VAL 90 Ca -0.27 -1.29 -0.47 0.00 -1.23 0.00 0.00 66.70 63.44 1n02 h VAL 90 Cb 2.05 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 33.07 1n02 h VAL 90 CO 0.22 0.29 0.27 -0.63 -1.23 0.00 0.00 177.57 176.48 1n02 s ILE 91 N -3.48 4.41 0.14 7.19 1.09 -0.84 -3.97 121.20 125.75 1n02 s ILE 91 Ca -0.14 1.46 -0.01 0.00 -1.10 0.00 0.00 60.65 60.86 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 0.56 -0.09 0.07 -0.70 -0.10 0.00 0.00 174.94 174.68 1n02 s GLU 92 N -2.64 0.98 -0.48 2.79 2.12 0.37 -3.12 118.70 118.71 1n02 s GLU 92 Ca 0.54 -1.48 -0.09 0.00 0.36 0.00 0.00 54.97 54.31 1n02 s GLU 92 Cb -0.13 0.24 0.12 0.00 0.26 0.00 0.00 34.13 34.62 1n02 s GLU 92 CO 0.18 -0.28 0.36 1.21 -0.54 0.00 0.00 175.26 176.19 1n02 s ASN 93 N -3.07 5.72 -0.61 -1.70 2.47 -1.26 -0.08 114.94 116.40 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 -2.01 0.14 0.00 -1.45 0.00 0.00 41.25 38.00 1n02 s ASN 93 CO 0.04 -0.69 0.61 -0.69 -3.72 0.00 0.00 177.10 172.65 1n02 s VAL 94 N 1.31 5.17 -1.32 -5.21 1.01 0.93 -4.49 120.40 117.80 1n02 s VAL 94 Ca 0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 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 -0.98 0.32 -0.67 0.00 0.00 0.00 175.10 173.77 1n02 n ASP 95 N 5.32 -4.55 0.00 3.32 2.03 -1.26 -1.91 116.55 119.50 1n02 n ASP 95 Ca -0.07 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.09 1n02 n ASP 95 Cb 0.42 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 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 1.32 2.90 0.27 0.00 -1.25 -4.64 105.19 102.66 1n02 n GLY 96 Ca -0.10 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1n02 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n02 s SER 97 N -2.35 -0.04 -0.16 1.61 0.01 -0.80 -4.61 113.70 107.35 1n02 s SER 97 Ca 0.00 0.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.08 1n02 s SER 97 Cb 0.00 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1n02 s SER 97 CO 0.00 -0.04 1.33 -0.76 0.41 0.00 0.00 173.24 174.18 1n02 s LEU 98 N 0.26 4.18 -0.02 2.44 1.43 -1.25 -0.05 118.68 125.67 1n02 s LEU 98 Ca -0.02 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.89 1n02 s LEU 98 Cb -0.03 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 1n02 s LEU 98 CO -0.01 -0.81 -0.21 -0.54 0.23 0.00 0.00 176.35 175.01 1n02 s LYS 99 N 3.64 1.75 -0.15 1.70 1.02 0.88 -4.82 119.74 123.76 1n02 s LYS 99 Ca 0.58 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.67 1n02 s LYS 99 Cb -0.23 -1.66 -0.13 0.00 -0.52 0.00 0.00 37.83 35.29 1n02 s LYS 99 CO 0.18 0.43 0.21 -0.92 -0.92 0.00 0.00 175.35 174.32 1n02 h TYR 100 N 5.71 0.00 -0.00 3.18 5.03 -1.88 1.07 116.97 130.07 1n02 h TYR 100 Ca -0.38 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1n02 h TYR 100 Cb 1.14 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.42 1n02 h TYR 100 CO 0.40 0.71 0.00 -1.91 -1.32 0.00 0.00 178.16 176.04