#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 -0.20 0.00 0.99 3.38 -1.96 -3.47 115.31 114.05 1n02 h LEU 1 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1n02 h LEU 1 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1n02 h LEU 1 CO 0.00 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1n02 n GLY 2 N -0.85 -1.64 2.59 0.83 0.00 -1.20 -4.85 105.19 100.06 1n02 n GLY 2 Ca -0.09 0.54 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.73 -0.98 -0.02 1.61 4.76 0.20 -4.71 118.16 118.29 1n02 n LYS 3 Ca 0.00 1.24 -0.19 0.00 -2.87 0.00 0.00 58.31 56.48 1n02 n LYS 3 Cb 0.00 -4.50 -0.14 0.00 -1.84 0.00 0.00 35.03 28.55 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1n02 n PHE 4 N -1.46 1.03 0.31 2.13 -1.74 -1.20 -4.06 117.46 112.47 1n02 n PHE 4 Ca 0.01 0.23 0.09 0.00 -0.56 0.00 0.00 57.45 57.22 1n02 n PHE 4 Cb 0.49 -1.14 0.42 0.00 1.52 0.00 0.00 39.48 40.77 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 -3.39 1.06 0.13 1.97 0.13 -1.26 -0.09 119.36 117.91 1n02 n ILE 5 Ca -0.32 0.39 0.01 0.00 -1.10 0.00 0.00 62.75 61.73 1n02 n ILE 5 Cb 1.04 -1.32 0.08 0.00 -0.84 0.00 0.00 39.64 38.61 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 -3.30 114.58 123.21 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 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1n02 h GLU 6 CO 0.00 0.60 0.00 0.25 -1.16 0.00 0.00 179.01 178.70 1n02 n THR 7 N -3.37 0.03 -4.23 1.13 -2.24 -0.72 -5.03 114.28 99.84 1n02 n THR 7 Ca 0.01 -0.52 -0.27 0.00 -2.27 0.00 0.00 64.05 61.00 1n02 n THR 7 Cb 0.72 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 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 -2.73 1.61 -1.19 0.00 1.70 -0.04 -4.72 118.95 113.57 1n02 s ARG 9 Ca 0.25 -1.91 -0.18 0.00 -0.47 0.00 0.00 55.73 53.42 1n02 s ARG 9 Cb -0.10 -0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 33.86 1n02 s ARG 9 CO 0.16 -0.35 0.72 0.27 -1.08 0.00 0.00 175.30 175.03 1n02 n ASN 10 N -0.79 -4.26 -4.72 -2.89 6.94 -1.26 -2.31 115.26 105.97 1n02 n ASN 10 Ca -0.01 -1.04 -0.42 0.00 -0.02 0.00 0.00 54.58 53.09 1n02 n ASN 10 Cb 0.66 -3.19 -0.03 0.00 -2.36 0.00 0.00 39.78 34.85 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 -3.56 4.65 0.18 5.53 -4.23 -1.26 -4.38 115.64 112.56 1n02 s THR 11 Ca 0.39 1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 62.71 1n02 s THR 11 Cb -0.15 -4.28 0.04 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.87 0.21 0.51 0.00 -0.54 0.00 0.00 174.62 175.67 1n02 s GLN 12 N 0.65 1.30 -0.12 3.99 -2.07 -0.93 -4.38 119.66 118.10 1n02 s GLN 12 Ca 0.51 -0.77 -0.11 0.00 -1.82 0.00 0.00 55.36 53.17 1n02 s GLN 12 Cb -0.23 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1n02 s GLN 12 CO 0.29 -0.55 0.24 -1.17 -1.32 0.00 0.00 175.29 172.78 1n02 s LEU 13 N -2.84 4.34 0.04 2.60 2.96 -1.26 -1.26 118.68 123.26 1n02 s LEU 13 Ca 0.07 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 1n02 s LEU 13 Cb -0.00 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n02 s LEU 13 CO -0.06 0.27 -0.26 0.00 -1.32 0.00 0.00 176.35 174.98 1n02 s ALA 14 N -0.42 2.27 0.00 5.97 0.00 0.44 -4.88 121.76 125.13 1n02 s ALA 14 Ca 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.86 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 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1n02 n GLY 15 N 1.77 1.01 0.12 0.00 0.00 -1.26 -1.02 105.19 105.81 1n02 n GLY 15 Ca -0.17 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 6.86 0.41 -0.23 1.61 0.02 -1.97 -3.42 113.55 116.83 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 -0.13 -0.39 0.00 0.14 0.00 0.00 62.40 62.02 1n02 h SER 16 CO 0.00 1.57 -1.06 -1.54 -1.14 0.00 0.00 176.83 174.66 1n02 n SER 17 N -3.44 1.24 -4.50 3.07 3.41 -1.25 -4.70 113.62 107.45 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 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.51 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 -2.01 2.06 -0.13 4.33 8.01 -0.19 -0.36 118.70 130.40 1n02 s GLU 18 Ca 0.30 -1.01 0.02 0.00 0.01 0.00 0.00 54.97 54.29 1n02 s GLU 18 Cb 0.35 -2.22 0.01 0.00 -4.31 0.00 0.00 34.13 27.96 1n02 s GLU 18 CO -0.10 0.53 -0.19 -1.17 0.01 0.00 0.00 175.26 174.34 1n02 s LEU 19 N -1.72 1.95 0.04 1.80 2.96 0.01 0.17 118.68 123.89 1n02 s LEU 19 Ca 0.17 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 1n02 s LEU 19 Cb -0.11 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 1n02 s LEU 19 CO 0.08 0.04 -0.24 0.00 -1.32 0.00 0.00 176.35 174.91 1n02 s ALA 20 N 0.97 2.35 0.28 5.97 0.00 -0.39 0.13 121.76 131.07 1n02 s ALA 20 Ca -0.05 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 1n02 s ALA 20 Cb -0.15 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.44 1n02 s ALA 20 CO -0.04 0.54 0.78 0.00 0.00 0.00 0.00 175.76 177.05 1n02 s ALA 21 N -0.82 -1.19 -0.09 0.00 0.00 0.81 -2.19 121.76 118.27 1n02 s ALA 21 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1n02 s ALA 21 Cb -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1n02 s ALA 21 CO 0.03 -1.03 -0.14 -1.21 0.00 0.00 0.00 175.76 173.40 1n02 s GLU 22 N -3.39 3.00 -0.04 0.00 2.02 -0.98 0.11 118.70 119.42 1n02 s GLU 22 Ca 0.13 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1n02 s GLU 22 Cb -0.05 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.68 1n02 s GLU 22 CO 0.07 0.38 -0.11 0.00 0.02 0.00 0.00 175.26 175.62 1n02 s LYS 24 N 0.31 4.31 0.57 0.00 -2.85 -1.16 -2.72 119.74 118.19 1n02 s LYS 24 Ca -0.06 2.26 -0.06 0.00 -1.00 0.00 0.00 55.97 57.11 1n02 s LYS 24 Cb -0.11 -3.09 0.12 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.01 -0.31 0.77 0.25 0.10 0.00 0.00 175.35 176.18 1n02 n THR 25 N 1.56 0.00 0.20 3.79 -2.24 0.33 -3.94 114.28 113.97 1n02 n THR 25 Ca 0.03 -0.83 0.05 0.00 -2.27 0.00 0.00 64.05 61.03 1n02 n THR 25 Cb 0.41 -1.38 0.50 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 0.07 -0.07 -0.78 3.08 -1.87 -1.81 114.38 113.00 1n02 h ARG 26 Ca -0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1n02 h ARG 26 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1n02 h ARG 26 CO 0.22 0.19 0.00 0.00 -1.07 0.00 0.00 179.97 179.31 1n02 n ALA 27 N -2.51 2.49 -3.00 0.04 0.00 -1.26 -4.86 120.51 111.42 1n02 n ALA 27 Ca -0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1n02 n ALA 27 Cb 0.21 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.32 -4.29 -5.09 0.00 6.02 -0.68 -5.03 117.38 108.00 1n02 n GLN 28 Ca 0.03 0.57 -0.32 0.00 -0.01 0.00 0.00 57.00 57.27 1n02 n GLN 28 Cb 0.06 -4.77 -0.15 0.00 1.02 0.00 0.00 30.24 26.40 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 -5.59 2.50 -0.21 -1.09 -0.21 -1.26 -4.87 119.66 108.94 1n02 s GLN 29 Ca 0.30 -0.81 -0.15 0.00 0.02 0.00 0.00 55.36 54.71 1n02 s GLN 29 Cb -0.13 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 1n02 s GLN 29 CO 0.37 0.50 0.38 -0.06 -2.12 0.00 0.00 175.29 174.36 1n02 s PHE 30 N -0.43 3.36 0.08 0.91 0.40 -1.26 0.12 117.98 121.16 1n02 s PHE 30 Ca 0.05 0.58 0.05 0.00 -0.60 0.00 0.00 56.93 57.00 1n02 s PHE 30 Cb -0.12 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 40.87 1n02 s PHE 30 CO 0.01 -0.01 -0.13 0.14 0.70 0.00 0.00 175.22 175.93 1n02 s VAL 31 N 1.32 1.09 0.21 -0.44 -7.23 -1.10 -4.94 120.40 109.31 1n02 s VAL 31 Ca 0.18 -1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 1n02 s VAL 31 Cb -0.15 -1.13 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 1n02 s VAL 31 CO 0.08 -0.29 1.22 -0.94 -0.31 0.00 0.00 175.10 174.85 1n02 s SER 32 N -1.88 7.05 0.09 4.85 1.04 -1.26 -0.99 113.70 122.59 1n02 s SER 32 Ca -0.00 2.30 -0.05 0.00 0.48 0.00 0.00 55.95 58.68 1n02 s SER 32 Cb -0.09 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 1n02 s SER 32 CO 0.02 -0.39 0.09 0.28 0.98 0.00 0.00 173.24 174.23 1n02 s THR 33 N -0.22 0.16 0.04 2.02 -1.32 0.31 -4.90 115.64 111.73 1n02 s THR 33 Ca 0.52 -1.56 -0.03 0.00 -1.21 0.00 0.00 61.69 59.41 1n02 s THR 33 Cb -0.34 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 1n02 s THR 33 CO 0.38 -0.72 0.04 -0.75 -2.21 0.00 0.00 174.62 171.37 1n02 s LYS 34 N -3.92 0.57 -0.04 7.08 2.20 -1.26 -0.14 119.74 124.23 1n02 s LYS 34 Ca 0.10 -0.89 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1n02 s LYS 34 Cb 0.06 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1n02 s LYS 34 CO -0.07 -0.13 0.02 -1.50 -0.36 0.00 0.00 175.35 173.31 1n02 s ILE 35 N -2.94 0.08 -0.27 5.43 1.10 0.12 -4.39 121.20 120.35 1n02 s ILE 35 Ca -0.02 0.22 -0.23 0.00 -0.51 0.00 0.00 60.65 60.11 1n02 s ILE 35 Cb 0.01 -0.25 -0.01 0.00 0.15 0.00 0.00 42.46 42.36 1n02 s ILE 35 CO -0.06 0.17 0.76 0.21 -2.11 0.00 0.00 174.94 173.91 1n02 s ASN 36 N 1.56 6.71 0.15 4.50 3.84 -1.26 -0.81 114.94 129.63 1n02 s ASN 36 Ca -0.02 0.83 0.24 0.00 0.21 0.00 0.00 52.86 54.11 1n02 s ASN 36 Cb -0.13 -2.40 0.30 0.00 -0.55 0.00 0.00 41.25 38.48 1n02 s ASN 36 CO -0.03 -0.51 1.30 -0.07 -2.79 0.00 0.00 177.10 175.01 1n02 h LEU 37 N 9.19 0.00 -0.58 3.21 4.07 -1.05 -3.32 115.31 126.84 1n02 h LEU 37 Ca -0.24 -0.16 0.04 0.00 0.08 0.00 0.00 57.88 57.60 1n02 h LEU 37 Cb 1.10 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.80 1n02 h LEU 37 CO 0.85 0.08 0.33 -2.24 -1.08 0.00 0.00 178.44 176.37 1n02 h ASP 38 N 0.00 0.50 0.43 -0.43 2.03 -1.44 1.25 116.42 118.75 1n02 h ASP 38 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1n02 h ASP 38 Cb 0.80 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 1n02 h ASP 38 CO 0.00 0.34 -0.61 -0.90 -1.03 0.00 0.00 179.24 177.04 1n02 n ASP 39 N -4.80 0.59 -0.01 4.15 5.68 -1.26 -1.13 116.55 119.76 1n02 n ASP 39 Ca 0.06 -0.36 -0.01 0.00 -0.50 0.00 0.00 54.79 53.98 1n02 n ASP 39 Cb 0.12 0.40 -0.00 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 -1.54 0.03 -2.68 2.11 8.25 -0.89 -3.79 115.22 116.72 1n02 n HIS 40 Ca 0.05 0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 57.19 1n02 n HIS 40 Cb 0.34 -0.13 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.28 4.24 0.24 1.59 1.09 0.42 -0.78 121.20 126.73 1n02 s ILE 41 Ca -0.04 1.35 0.00 0.00 -1.10 0.00 0.00 60.65 60.86 1n02 s ILE 41 Cb 0.01 -3.57 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 1n02 s ILE 41 CO 0.06 -0.35 0.20 0.00 -0.10 0.00 0.00 174.94 174.75 1n02 s ALA 42 N -2.19 1.23 -0.33 9.38 0.00 0.27 -3.82 121.76 126.30 1n02 s ALA 42 Ca 0.63 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1n02 s ALA 42 Cb -0.11 1.38 0.05 0.00 0.00 0.00 0.00 23.12 24.44 1n02 s ALA 42 CO 0.18 -0.63 0.08 1.21 0.00 0.00 0.00 175.76 176.59 1n02 s ASN 43 N -3.21 5.18 -0.68 0.00 2.47 -1.26 -1.52 114.94 115.92 1n02 s ASN 43 Ca 0.38 -1.23 -0.05 0.00 0.42 0.00 0.00 52.86 52.38 1n02 s ASN 43 Cb 0.05 -1.82 0.18 0.00 -1.45 0.00 0.00 41.25 38.21 1n02 s ASN 43 CO 0.16 -0.32 0.53 -0.63 -3.72 0.00 0.00 177.10 173.12 1n02 s ILE 44 N 1.34 4.13 -0.85 -5.21 -1.09 0.92 -4.65 121.20 115.80 1n02 s ILE 44 Ca -0.02 -2.93 -0.05 0.00 -2.23 0.00 0.00 60.65 55.42 1n02 s ILE 44 Cb -0.20 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1n02 s ILE 44 CO 0.01 -0.92 0.63 -0.67 -1.23 0.00 0.00 174.94 172.76 1n02 n ASP 45 N 3.50 -4.56 0.00 3.58 -0.08 -1.26 -2.53 116.55 115.20 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 0.40 -3.22 0.00 0.00 2.34 0.00 0.00 41.12 40.64 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 -1.36 0.88 3.48 0.27 0.00 -1.06 -4.28 105.19 103.12 1n02 n GLY 46 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.47 3.29 -0.26 2.61 2.01 -1.05 -4.52 115.64 114.25 1n02 s THR 47 Ca 0.00 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 1n02 s THR 47 Cb 0.00 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1n02 s THR 47 CO 0.00 0.57 1.19 -0.76 -0.69 0.00 0.00 174.62 174.93 1n02 s LEU 48 N -0.42 4.00 0.12 4.42 1.43 -1.26 -0.06 118.68 126.91 1n02 s LEU 48 Ca 0.05 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1n02 s LEU 48 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1n02 s LEU 48 CO 0.02 -0.89 -0.01 -0.54 0.23 0.00 0.00 176.35 175.17 1n02 s LYS 49 N 3.72 0.89 -0.22 1.70 1.02 -0.57 -4.88 119.74 121.40 1n02 s LYS 49 Ca 0.51 -1.40 -0.23 0.00 0.02 0.00 0.00 55.97 54.88 1n02 s LYS 49 Cb -0.16 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1n02 s LYS 49 CO 0.16 -0.13 0.72 -1.58 -0.92 0.00 0.00 175.35 173.60 1n02 s TRP 50 N -3.81 3.35 -0.27 3.18 0.51 -1.26 0.98 118.94 121.61 1n02 s TRP 50 Ca 0.18 1.02 -0.27 0.00 -2.12 0.00 0.00 56.10 54.91 1n02 s TRP 50 Cb 0.07 -2.91 0.17 0.00 -0.81 0.00 0.00 33.47 29.98 1n02 s TRP 50 CO -0.02 -0.28 1.28 -1.14 -0.51 0.00 0.00 176.95 176.29 1n02 s GLN 51 N 2.32 0.23 -0.18 4.98 2.00 0.04 -4.85 119.66 124.19 1n02 s GLN 51 Ca 0.32 0.18 -0.27 0.00 -2.00 0.00 0.00 55.36 53.59 1n02 s GLN 51 Cb -0.16 0.11 -0.31 0.00 0.80 0.00 0.00 33.01 33.45 1n02 s GLN 51 CO 0.10 -0.04 1.64 -0.35 -0.50 0.00 0.00 175.29 176.13 1n02 n PRO 52 N 1.39 0.35 -3.64 1.67 -0.04 -1.25 -3.78 135.00 129.70 1n02 n PRO 52 Ca -0.09 -1.17 -0.10 0.00 -0.04 0.00 0.00 63.50 62.11 1n02 n PRO 52 Cb 0.57 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 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 6.44 -0.83 -0.51 3.54 1.04 -1.25 -4.99 113.70 117.13 1n02 s SER 53 Ca 0.63 1.45 -0.27 0.00 0.48 0.00 0.00 55.95 58.24 1n02 s SER 53 Cb 0.14 1.41 0.03 0.00 0.10 0.00 0.00 66.02 67.70 1n02 s SER 53 CO 0.28 -0.24 1.06 0.20 0.98 0.00 0.00 173.24 175.52 1n02 s ASN 54 N 1.03 6.50 0.52 7.02 0.01 -0.29 -3.02 114.94 126.71 1n02 s ASN 54 Ca -0.05 0.15 0.34 0.00 -0.71 0.00 0.00 52.86 52.59 1n02 s ASN 54 Cb -0.05 -2.50 1.48 0.00 0.41 0.00 0.00 41.25 40.59 1n02 s ASN 54 CO -0.10 -1.25 1.78 2.19 -1.51 0.00 0.00 177.10 178.21 1n02 h PHE 55 N 9.28 0.13 0.00 2.20 -0.00 -1.79 -0.16 116.94 126.60 1n02 h PHE 55 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.73 1n02 h PHE 55 Cb 1.07 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.98 1n02 h PHE 55 CO 0.95 0.00 0.50 0.66 -0.00 0.00 0.00 178.31 180.42 1n02 h SER 56 N 0.07 0.00 0.30 -0.68 4.64 -1.88 0.46 113.55 116.46 1n02 h SER 56 Ca 0.60 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.89 1n02 h SER 56 Cb 2.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.31 1n02 h SER 56 CO -0.07 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.29 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.43 -3.21 115.11 116.31 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 0.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1n02 h GLN 57 CO 0.00 0.16 0.00 0.25 -0.95 0.00 0.00 178.83 178.29 1n02 n THR 58 N -3.89 0.16 -4.35 -0.54 -2.24 0.08 -5.07 114.28 98.43 1n02 n THR 58 Ca -0.02 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 1n02 n THR 58 Cb 0.25 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.12 0.31 -1.05 0.00 1.13 0.01 -4.60 117.35 112.02 1n02 s TYR 60 Ca 0.18 -0.73 -0.03 0.00 -1.41 0.00 0.00 57.07 55.08 1n02 s TYR 60 Cb -0.11 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1n02 s TYR 60 CO 0.10 -0.40 0.90 0.09 -2.51 0.00 0.00 175.55 173.73 1n02 n ASN 61 N 0.39 -3.47 -4.75 -0.18 4.13 -1.26 -2.86 115.26 107.26 1n02 n ASN 61 Ca -0.17 -0.49 -0.41 0.00 1.68 0.00 0.00 54.58 55.19 1n02 n ASN 61 Cb 0.60 -4.33 -0.03 0.00 -1.54 0.00 0.00 39.78 34.48 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1n02 s SER 62 N -3.79 6.91 0.02 6.41 0.01 -1.26 -4.30 113.70 117.70 1n02 s SER 62 Ca 0.19 2.44 -0.02 0.00 1.31 0.00 0.00 55.95 59.87 1n02 s SER 62 Cb -0.09 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1n02 s SER 62 CO 0.61 -0.49 0.02 0.00 0.41 0.00 0.00 173.24 173.79 1n02 s ALA 63 N -0.25 0.03 -0.00 1.44 0.00 0.44 -4.95 121.76 118.47 1n02 s ALA 63 Ca 0.54 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1n02 s ALA 63 Cb -0.37 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1n02 s ALA 63 CO 0.41 -0.20 -0.13 0.42 0.00 0.00 0.00 175.76 176.26 1n02 s ILE 64 N -1.70 1.06 -0.17 0.00 1.01 -1.26 0.13 121.20 120.27 1n02 s ILE 64 Ca -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1n02 s ILE 64 Cb -0.08 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.56 1n02 s ILE 64 CO -0.01 0.25 0.07 -1.10 0.00 0.00 0.00 174.94 174.15 1n02 s GLN 65 N -0.44 0.26 7.81 2.79 -1.52 -0.62 -4.54 119.66 123.39 1n02 s GLN 65 Ca 0.05 -0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 1n02 s GLN 65 Cb -0.06 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1n02 s GLN 65 CO -0.00 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 1n02 n GLY 66 N 5.20 3.21 0.68 3.09 0.00 -1.26 -2.22 105.19 113.90 1n02 n GLY 66 Ca -0.08 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 8.28 2.41 -4.79 1.61 3.41 -1.26 -4.72 113.62 118.56 1n02 n SER 67 Ca 0.00 -1.70 -0.36 0.00 -0.26 0.00 0.00 58.87 56.55 1n02 n SER 67 Cb 0.00 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.11 5.04 -0.21 -3.33 1.01 -0.94 -1.82 120.40 118.04 1n02 s VAL 68 Ca 0.22 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1n02 s VAL 68 Cb 0.18 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1n02 s VAL 68 CO 0.41 0.59 0.10 -0.22 0.00 0.00 0.00 175.10 175.98 1n02 s LEU 69 N -0.79 3.89 -0.14 3.92 2.96 -0.52 -1.60 118.68 126.40 1n02 s LEU 69 Ca 0.13 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1n02 s LEU 69 Cb -0.12 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1n02 s LEU 69 CO 0.03 0.11 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.10 1n02 s THR 70 N 0.77 2.46 0.03 3.68 2.01 0.35 -2.66 115.64 122.28 1n02 s THR 70 Ca 0.05 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 1n02 s THR 70 Cb -0.13 -2.02 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1n02 s THR 70 CO 0.02 0.53 0.37 -0.55 -0.69 0.00 0.00 174.62 174.30 1n02 s SER 71 N 0.75 -0.24 -0.19 3.53 0.15 -1.18 0.17 113.70 116.69 1n02 s SER 71 Ca -0.07 0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.42 1n02 s SER 71 Cb -0.16 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO 0.00 -0.60 0.40 -0.89 1.20 0.00 0.00 173.24 173.36 1n02 s THR 72 N -2.16 5.20 0.04 6.45 2.01 -1.14 -1.54 115.64 124.50 1n02 s THR 72 Ca -0.07 0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.71 1n02 s THR 72 Cb -0.02 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1n02 s THR 72 CO -0.00 0.27 -0.18 0.00 -0.69 0.00 0.00 174.62 174.01 1n02 s GLU 74 N -1.16 4.58 0.10 0.00 2.12 0.21 0.56 118.70 125.10 1n02 s GLU 74 Ca 0.06 1.78 -0.14 0.00 0.36 0.00 0.00 54.97 57.03 1n02 s GLU 74 Cb -0.08 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 1n02 s GLU 74 CO 0.02 0.06 0.49 1.03 -0.54 0.00 0.00 175.26 176.31 1n02 s ARG 75 N -0.57 3.93 0.57 4.30 0.52 -1.10 -2.57 118.95 124.04 1n02 s ARG 75 Ca 0.49 0.42 0.29 0.00 -0.52 0.00 0.00 55.73 56.41 1n02 s ARG 75 Cb -0.31 -3.03 1.46 0.00 0.52 0.00 0.00 34.95 33.59 1n02 s ARG 75 CO 0.37 0.55 1.89 1.15 0.02 0.00 0.00 175.30 179.28 1n02 h THR 76 N 3.05 0.43 -0.04 0.02 2.02 -1.93 0.82 112.91 117.28 1n02 h THR 76 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1n02 h THR 76 Cb 1.20 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1n02 h THR 76 CO 0.65 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.13 1n02 n ASN 77 N -3.89 0.59 0.00 4.18 4.13 -1.26 -5.00 115.26 114.02 1n02 n ASN 77 Ca 0.12 -1.37 0.00 0.00 1.68 0.00 0.00 54.58 55.01 1n02 n ASN 77 Cb 0.77 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n02 n GLY 78 N 0.99 -0.08 0.00 7.41 0.00 0.29 -5.12 105.19 108.66 1n02 n GLY 78 Ca 0.18 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 1.01 -0.16 3.09 -0.02 0.00 -1.26 -4.67 105.19 103.18 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 0.00 1.10 -0.21 1.61 2.02 -1.26 -2.73 117.35 117.88 1n02 s TYR 80 Ca 0.00 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.33 1n02 s TYR 80 Cb 0.00 -0.69 0.07 0.00 -0.40 0.00 0.00 41.96 40.94 1n02 s TYR 80 CO 0.00 -0.00 0.50 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.58 -0.64 -0.07 2.29 3.84 0.19 -4.91 114.94 115.07 1n02 s ASN 81 Ca 0.03 1.09 -0.16 0.00 0.21 0.00 0.00 52.86 54.03 1n02 s ASN 81 Cb -0.06 1.02 -0.05 0.00 -0.55 0.00 0.00 41.25 41.61 1n02 s ASN 81 CO 0.00 -0.21 0.43 0.28 -2.79 0.00 0.00 177.10 174.82 1n02 s THR 82 N 1.58 5.12 0.22 -5.21 -1.32 -1.26 0.99 115.64 115.76 1n02 s THR 82 Ca -0.09 0.88 0.10 0.00 -1.21 0.00 0.00 61.69 61.37 1n02 s THR 82 Cb -0.08 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.11 1n02 s THR 82 CO -0.15 0.44 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.57 1n02 s SER 83 N -0.13 3.11 0.05 8.08 1.04 -0.59 -4.92 113.70 120.34 1n02 s SER 83 Ca 0.24 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.79 1n02 s SER 83 Cb -0.16 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 1n02 s SER 83 CO 0.11 -0.02 -0.25 -0.94 0.98 0.00 0.00 173.24 173.12 1n02 s SER 84 N -3.16 3.03 -0.04 7.02 1.04 -1.26 -3.09 113.70 117.23 1n02 s SER 84 Ca 0.24 -0.59 -0.06 0.00 0.48 0.00 0.00 55.95 56.02 1n02 s SER 84 Cb -0.04 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1n02 s SER 84 CO 0.10 0.23 0.14 -0.51 0.98 0.00 0.00 173.24 174.19 1n02 s ILE 85 N -0.82 0.03 -0.33 -1.02 2.07 -1.09 -4.90 121.20 115.13 1n02 s ILE 85 Ca 0.11 -0.22 -0.15 0.00 -1.41 0.00 0.00 60.65 58.98 1n02 s ILE 85 Cb -0.10 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 1n02 s ILE 85 CO 0.02 -0.12 0.37 -0.62 -1.91 0.00 0.00 174.94 172.68 1n02 s ASP 86 N -0.37 6.19 0.00 4.50 2.15 -1.26 -1.44 116.67 126.44 1n02 s ASP 86 Ca -0.04 -0.16 0.23 0.00 0.43 0.00 0.00 52.55 53.01 1n02 s ASP 86 Cb -0.03 -2.20 0.20 0.00 -0.30 0.00 0.00 42.92 40.59 1n02 s ASP 86 CO 0.01 -0.32 1.21 0.18 -0.17 0.00 0.00 175.17 176.07 1n02 n LEU 87 N 5.39 1.24 -0.31 -1.34 4.77 -0.76 -4.43 117.00 121.57 1n02 n LEU 87 Ca -0.09 -0.44 0.35 0.00 -0.03 0.00 0.00 56.01 55.80 1n02 n LEU 87 Cb 0.50 -0.07 0.68 0.00 -2.33 0.00 0.00 43.42 42.19 1n02 n LEU 87 CO 0.40 0.25 1.32 -1.13 -1.33 0.00 0.00 177.39 176.91 1n02 h ASN 88 N 1.05 0.00 0.38 -1.43 -0.00 -1.87 0.43 115.58 114.14 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 0.58 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.92 1n02 h ASN 88 CO 0.00 0.00 -1.49 0.77 -0.00 0.00 0.00 177.43 176.71 1n02 h SER 89 N 0.00 0.61 0.11 1.15 4.64 -1.95 0.57 113.55 118.69 1n02 h SER 89 Ca 0.57 -0.73 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1n02 h SER 89 Cb 2.62 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 64.51 1n02 h SER 89 CO -0.01 1.59 -0.05 -0.37 -0.87 0.00 0.00 176.83 177.12 1n02 h VAL 90 N 0.11 0.96 -3.94 0.95 -1.51 -0.46 -3.18 116.25 109.18 1n02 h VAL 90 Ca -0.24 -1.31 -0.46 0.00 -1.23 0.00 0.00 66.70 63.46 1n02 h VAL 90 Cb 2.08 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.89 1n02 h VAL 90 CO 0.22 0.27 0.30 -0.63 -1.23 0.00 0.00 177.57 176.50 1n02 s ILE 91 N -3.13 4.37 0.14 7.19 1.09 -0.77 -4.03 121.20 126.06 1n02 s ILE 91 Ca -0.13 1.53 0.00 0.00 -1.10 0.00 0.00 60.65 60.96 1n02 s ILE 91 Cb -0.00 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1n02 s ILE 91 CO 0.48 -0.12 0.03 -0.70 -0.10 0.00 0.00 174.94 174.53 1n02 s GLU 92 N -2.71 0.96 -0.48 2.79 2.12 0.34 -3.27 118.70 118.46 1n02 s GLU 92 Ca 0.56 -1.45 -0.09 0.00 0.36 0.00 0.00 54.97 54.35 1n02 s GLU 92 Cb -0.13 0.05 0.12 0.00 0.26 0.00 0.00 34.13 34.43 1n02 s GLU 92 CO 0.17 -0.20 0.36 1.21 -0.54 0.00 0.00 175.26 176.27 1n02 s ASN 93 N -3.08 5.72 -0.64 -1.70 2.47 -1.26 -0.94 114.94 115.51 1n02 s ASN 93 Ca 0.22 -1.94 -0.15 0.00 0.42 0.00 0.00 52.86 51.41 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 0.01 -0.69 0.60 -0.69 -3.72 0.00 0.00 177.10 172.61 1n02 s VAL 94 N 1.33 5.34 -1.32 -5.21 1.01 0.10 -4.54 120.40 117.11 1n02 s VAL 94 Ca 0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1n02 s VAL 94 Cb -0.26 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 31.76 1n02 s VAL 94 CO -0.01 -0.93 0.30 -0.67 0.00 0.00 0.00 175.10 173.79 1n02 n ASP 95 N 4.85 -4.55 0.00 3.32 2.03 -1.26 -1.72 116.55 119.22 1n02 n ASP 95 Ca -0.04 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.14 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 -1.11 1.25 2.89 0.27 0.00 -1.25 -4.64 105.19 102.59 1n02 n GLY 96 Ca -0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.42 -0.05 -0.19 1.61 0.01 -0.70 -4.51 113.70 107.46 1n02 s SER 97 Ca 0.00 0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.13 1n02 s SER 97 Cb 0.00 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 1n02 s SER 97 CO 0.00 -0.09 1.28 -0.76 0.41 0.00 0.00 173.24 174.08 1n02 s LEU 98 N 0.66 4.13 0.16 2.44 1.43 -1.25 0.01 118.68 126.26 1n02 s LEU 98 Ca -0.05 1.63 0.10 0.00 -1.03 0.00 0.00 54.13 54.77 1n02 s LEU 98 Cb -0.07 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1n02 s LEU 98 CO -0.03 -0.82 -0.22 -0.54 0.23 0.00 0.00 176.35 174.97 1n02 s LYS 99 N 3.64 1.34 -0.12 1.70 3.01 -0.12 -4.81 119.74 124.39 1n02 s LYS 99 Ca 0.56 -1.40 -0.07 0.00 -1.01 0.00 0.00 55.97 54.05 1n02 s LYS 99 Cb -0.21 -1.57 -0.02 0.00 -1.01 0.00 0.00 37.83 35.02 1n02 s LYS 99 CO 0.16 0.34 -0.13 -0.92 0.51 0.00 0.00 175.35 175.32 1n02 h TYR 100 N 3.45 0.00 -0.01 3.18 5.03 -1.89 1.00 116.97 127.72 1n02 h TYR 100 Ca -0.45 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.86 1n02 h TYR 100 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.48 1n02 h TYR 100 CO 0.66 0.00 0.00 -1.91 -1.32 0.00 0.00 178.16 175.59