#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 s LEU 1 N 0.00 4.14 0.00 0.99 2.96 -1.26 -5.08 118.68 120.43 1n02 s LEU 1 Ca 0.00 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1n02 s LEU 1 Cb 0.00 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.54 1n02 s LEU 1 CO 0.00 -0.19 0.16 0.61 -1.32 0.00 0.00 176.35 175.61 1n02 n GLY 2 N -1.49 -1.50 2.58 7.98 0.00 -1.15 -5.00 105.19 106.62 1n02 n GLY 2 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 -1.16 -0.07 1.61 5.02 0.18 -4.70 118.16 118.81 1n02 n LYS 3 Ca 0.00 1.35 -0.17 0.00 -2.02 0.00 0.00 58.31 57.46 1n02 n LYS 3 Cb 0.00 -4.56 -0.13 0.00 -0.02 0.00 0.00 35.03 30.31 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 -1.23 0.52 0.29 2.13 -1.74 -1.18 -4.17 117.46 112.09 1n02 n PHE 4 Ca 0.02 0.12 0.11 0.00 -0.56 0.00 0.00 57.45 57.15 1n02 n PHE 4 Cb 0.45 -1.07 0.51 0.00 1.52 0.00 0.00 39.48 40.89 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 -3.26 0.96 0.14 1.97 0.13 -1.26 -1.15 119.36 116.89 1n02 n ILE 5 Ca -0.37 0.45 0.01 0.00 -1.10 0.00 0.00 62.75 61.74 1n02 n ILE 5 Cb 1.03 -1.41 0.12 0.00 -0.84 0.00 0.00 39.64 38.54 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 -0.02 9.51 3.07 -1.96 -3.23 114.58 121.94 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 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1n02 h GLU 6 CO 0.00 0.59 0.00 0.25 -1.40 0.00 0.00 179.01 178.45 1n02 n THR 7 N -3.44 1.84 -4.20 1.13 -2.24 -0.52 -5.03 114.28 101.81 1n02 n THR 7 Ca 0.00 -2.13 -0.16 0.00 -2.27 0.00 0.00 64.05 59.50 1n02 n THR 7 Cb 0.69 -0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 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 -2.70 1.55 -1.21 0.00 1.70 -0.43 -4.78 118.95 113.08 1n02 s ARG 9 Ca 0.07 -1.88 -0.16 0.00 -0.47 0.00 0.00 55.73 53.29 1n02 s ARG 9 Cb -0.04 -0.19 -0.00 0.00 -0.57 0.00 0.00 34.95 34.15 1n02 s ARG 9 CO 0.01 -0.40 0.70 0.27 -1.08 0.00 0.00 175.30 174.81 1n02 n ASN 10 N -0.79 -3.89 -4.71 -2.89 0.23 -1.26 -2.35 115.26 99.59 1n02 n ASN 10 Ca 0.00 -1.02 -0.42 0.00 -0.53 0.00 0.00 54.58 52.62 1n02 n ASN 10 Cb 0.65 -3.27 -0.03 0.00 -2.08 0.00 0.00 39.78 35.06 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 -3.59 4.76 0.18 5.53 -4.23 -1.26 -4.25 115.64 112.78 1n02 s THR 11 Ca 0.34 2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 62.68 1n02 s THR 11 Cb -0.13 -4.29 0.04 0.00 1.34 0.00 0.00 72.50 69.46 1n02 s THR 11 CO 0.87 0.17 0.53 0.00 -0.54 0.00 0.00 174.62 175.65 1n02 s GLN 12 N 0.89 1.33 -0.12 3.99 -2.07 -0.90 -4.36 119.66 118.42 1n02 s GLN 12 Ca 0.52 -0.77 -0.10 0.00 -1.82 0.00 0.00 55.36 53.19 1n02 s GLN 12 Cb -0.22 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1n02 s GLN 12 CO 0.28 -0.57 0.22 -1.17 -1.32 0.00 0.00 175.29 172.74 1n02 s LEU 13 N -2.84 4.35 0.03 2.60 2.96 -1.26 -1.26 118.68 123.26 1n02 s LEU 13 Ca 0.07 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.60 1n02 s LEU 13 Cb -0.01 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1n02 s LEU 13 CO -0.06 0.30 -0.26 0.00 -1.32 0.00 0.00 176.35 175.01 1n02 s ALA 14 N -0.54 2.24 0.00 5.97 0.00 0.38 -4.88 121.76 124.93 1n02 s ALA 14 Ca 0.16 -1.23 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 22.49 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 -1.15 105.19 105.89 1n02 n GLY 15 Ca -0.17 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 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 8.60 0.41 -0.20 1.61 0.02 -1.96 -3.42 113.55 118.59 1n02 h SER 16 Ca 0.00 -0.67 -0.20 0.00 -0.84 0.00 0.00 61.79 60.07 1n02 h SER 16 Cb 0.00 -0.13 -0.35 0.00 0.14 0.00 0.00 62.40 62.05 1n02 h SER 16 CO 0.00 1.58 -0.96 -1.54 -1.14 0.00 0.00 176.83 174.77 1n02 n SER 17 N -3.45 0.90 -4.51 3.07 3.41 -1.25 -4.67 113.62 107.12 1n02 n SER 17 Ca -0.22 -2.03 -0.31 0.00 -0.26 0.00 0.00 58.87 56.05 1n02 n SER 17 Cb 1.05 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.79 2.14 -0.15 4.33 8.01 -0.30 -1.25 118.70 129.70 1n02 s GLU 18 Ca 0.26 -0.96 0.02 0.00 0.01 0.00 0.00 54.97 54.30 1n02 s GLU 18 Cb 0.33 -2.27 0.01 0.00 -4.31 0.00 0.00 34.13 27.90 1n02 s GLU 18 CO -0.09 0.54 -0.21 -1.17 0.01 0.00 0.00 175.26 174.34 1n02 s LEU 19 N -1.69 2.09 0.05 1.80 2.96 -0.28 0.14 118.68 123.76 1n02 s LEU 19 Ca 0.17 -0.61 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1n02 s LEU 19 Cb -0.11 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1n02 s LEU 19 CO 0.08 0.05 -0.26 0.00 -1.32 0.00 0.00 176.35 174.90 1n02 s ALA 20 N 1.00 2.24 0.28 5.97 0.00 -0.39 -0.26 121.76 130.61 1n02 s ALA 20 Ca -0.03 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.46 1n02 s ALA 20 Cb -0.15 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1n02 s ALA 20 CO -0.06 0.53 0.79 0.00 0.00 0.00 0.00 175.76 177.02 1n02 s ALA 21 N -0.82 -1.20 -0.10 0.00 0.00 0.12 -2.12 121.76 117.63 1n02 s ALA 21 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1n02 s ALA 21 Cb -0.10 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n02 s ALA 21 CO 0.02 -1.03 -0.10 -1.21 0.00 0.00 0.00 175.76 173.44 1n02 s GLU 22 N -3.34 3.12 -0.03 0.00 2.02 -0.99 0.83 118.70 120.30 1n02 s GLU 22 Ca 0.13 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1n02 s GLU 22 Cb -0.05 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1n02 s GLU 22 CO 0.07 0.41 -0.11 0.00 0.02 0.00 0.00 175.26 175.65 1n02 s LYS 24 N 0.23 4.33 0.84 0.00 -2.85 -1.12 -2.31 119.74 118.86 1n02 s LYS 24 Ca -0.05 2.19 -0.09 0.00 -1.00 0.00 0.00 55.97 57.02 1n02 s LYS 24 Cb -0.10 -3.14 0.18 0.00 -2.06 0.00 0.00 37.83 32.71 1n02 s LYS 24 CO 0.01 -0.32 1.14 0.25 0.10 0.00 0.00 175.35 176.54 1n02 n THR 25 N 2.23 0.00 0.23 3.79 -2.24 0.26 -3.99 114.28 114.56 1n02 n THR 25 Ca 0.05 -1.17 0.10 0.00 -2.27 0.00 0.00 64.05 60.76 1n02 n THR 25 Cb 0.41 -1.28 0.66 0.00 -2.10 0.00 0.00 70.33 68.03 1n02 n THR 25 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1n02 h ARG 26 N 0.00 0.00 -0.19 -0.78 3.08 -1.88 -1.19 114.38 113.41 1n02 h ARG 26 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1n02 h ARG 26 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1n02 h ARG 26 CO 0.31 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 1n02 n ALA 27 N -2.54 2.50 -3.15 0.04 0.00 -1.26 -4.88 120.51 111.22 1n02 n ALA 27 Ca -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1n02 n ALA 27 Cb 0.16 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.07 -4.95 -5.14 0.00 1.13 -0.45 -5.03 117.38 102.87 1n02 n GLN 28 Ca 0.05 0.55 -0.30 0.00 -1.94 0.00 0.00 57.00 55.36 1n02 n GLN 28 Cb 0.14 -4.74 -0.17 0.00 0.11 0.00 0.00 30.24 25.59 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 -5.78 2.60 -0.16 -1.09 -1.52 -1.25 -4.87 119.66 107.58 1n02 s GLN 29 Ca 0.36 -0.82 -0.19 0.00 -1.95 0.00 0.00 55.36 52.76 1n02 s GLN 29 Cb -0.16 -2.08 -0.03 0.00 -0.22 0.00 0.00 33.01 30.51 1n02 s GLN 29 CO 0.44 0.25 0.55 -0.06 -0.25 0.00 0.00 175.29 176.22 1n02 s PHE 30 N 0.14 3.44 0.08 0.91 0.40 -1.26 0.90 117.98 122.59 1n02 s PHE 30 Ca -0.11 0.89 0.05 0.00 -0.60 0.00 0.00 56.93 57.16 1n02 s PHE 30 Cb -0.15 -2.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1n02 s PHE 30 CO 0.06 -0.01 -0.13 0.14 0.70 0.00 0.00 175.22 175.97 1n02 s VAL 31 N 1.29 1.10 0.19 -0.44 -7.23 -0.98 -4.91 120.40 109.42 1n02 s VAL 31 Ca 0.27 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1n02 s VAL 31 Cb -0.16 -1.17 -0.08 0.00 0.56 0.00 0.00 36.38 35.53 1n02 s VAL 31 CO 0.11 -0.32 1.26 -0.44 -0.31 0.00 0.00 175.10 175.40 1n02 s SER 32 N -1.96 6.98 0.09 4.85 0.01 -1.26 -0.46 113.70 121.94 1n02 s SER 32 Ca 0.01 2.32 -0.03 0.00 1.31 0.00 0.00 55.95 59.55 1n02 s SER 32 Cb -0.08 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 1n02 s SER 32 CO 0.02 -0.46 0.06 0.28 0.41 0.00 0.00 173.24 173.56 1n02 s THR 33 N 0.06 0.16 0.04 1.44 -1.32 0.24 -4.89 115.64 111.37 1n02 s THR 33 Ca 0.55 -1.67 -0.03 0.00 -1.21 0.00 0.00 61.69 59.33 1n02 s THR 33 Cb -0.35 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 68.98 1n02 s THR 33 CO 0.37 -0.73 0.04 -0.75 -2.21 0.00 0.00 174.62 171.34 1n02 s LYS 34 N -3.94 0.56 -0.04 7.08 2.36 -1.26 -0.71 119.74 123.79 1n02 s LYS 34 Ca 0.12 -0.89 -0.01 0.00 -2.55 0.00 0.00 55.97 52.64 1n02 s LYS 34 Cb 0.07 0.21 0.03 0.00 -1.05 0.00 0.00 37.83 37.09 1n02 s LYS 34 CO -0.06 -0.13 0.02 -1.50 1.55 0.00 0.00 175.35 175.23 1n02 s ILE 35 N -2.92 0.08 -0.33 5.43 1.10 0.65 -4.39 121.20 120.82 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 0.00 0.00 0.15 0.00 0.00 42.46 42.37 1n02 s ILE 35 CO -0.06 0.17 0.78 0.21 -2.11 0.00 0.00 174.94 173.92 1n02 s ASN 36 N 1.56 6.60 0.17 4.50 2.47 -1.26 -1.13 114.94 127.86 1n02 s ASN 36 Ca -0.02 0.51 0.24 0.00 0.42 0.00 0.00 52.86 54.01 1n02 s ASN 36 Cb -0.13 -2.40 0.33 0.00 -1.45 0.00 0.00 41.25 37.60 1n02 s ASN 36 CO -0.03 -0.66 1.34 -0.07 -3.72 0.00 0.00 177.10 173.96 1n02 h LEU 37 N 9.57 0.00 -0.57 3.21 4.07 -1.53 -3.31 115.31 126.75 1n02 h LEU 37 Ca -0.25 -0.13 0.08 0.00 0.08 0.00 0.00 57.88 57.66 1n02 h LEU 37 Cb 1.10 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 1n02 h LEU 37 CO 0.89 0.07 0.23 0.44 -1.08 0.00 0.00 178.44 178.99 1n02 h ASP 38 N 0.00 0.25 0.39 -0.43 5.19 -1.57 0.71 116.42 120.97 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 0.81 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1n02 h ASP 38 CO 0.00 0.16 -0.65 -0.90 -3.12 0.00 0.00 179.24 174.73 1n02 n ASP 39 N -4.97 0.62 -0.04 6.45 5.68 -1.26 -1.16 116.55 121.88 1n02 n ASP 39 Ca 0.07 -0.41 -0.03 0.00 -0.50 0.00 0.00 54.79 53.92 1n02 n ASP 39 Cb 0.23 0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 40.65 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 0.08 -2.82 2.11 8.25 -0.84 -3.76 115.22 116.70 1n02 n HIS 40 Ca 0.05 0.04 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 1n02 n HIS 40 Cb 0.34 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.72 4.37 0.24 1.59 1.09 0.24 -0.48 121.20 126.54 1n02 s ILE 41 Ca -0.11 1.53 0.00 0.00 -1.10 0.00 0.00 60.65 60.97 1n02 s ILE 41 Cb 0.01 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.73 1n02 s ILE 41 CO 0.16 -0.26 0.21 0.00 -0.10 0.00 0.00 174.94 174.95 1n02 s ALA 42 N -2.11 1.21 -0.29 9.38 0.00 0.31 -3.79 121.76 126.46 1n02 s ALA 42 Ca 0.60 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1n02 s ALA 42 Cb -0.10 1.37 0.03 0.00 0.00 0.00 0.00 23.12 24.43 1n02 s ALA 42 CO 0.14 -0.64 0.02 1.21 0.00 0.00 0.00 175.76 176.49 1n02 s ASN 43 N -3.20 4.86 -0.57 0.00 2.47 -1.26 -1.49 114.94 115.74 1n02 s ASN 43 Ca 0.38 -1.04 -0.04 0.00 0.42 0.00 0.00 52.86 52.58 1n02 s ASN 43 Cb 0.05 -1.76 0.15 0.00 -1.45 0.00 0.00 41.25 38.24 1n02 s ASN 43 CO 0.16 -0.22 0.39 -0.63 -3.72 0.00 0.00 177.10 173.07 1n02 s ILE 44 N 1.35 3.70 -1.05 -5.21 1.09 0.74 -4.66 121.20 117.16 1n02 s ILE 44 Ca -0.02 -2.64 -0.07 0.00 -1.10 0.00 0.00 60.65 56.82 1n02 s ILE 44 Cb -0.18 -3.44 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 1n02 s ILE 44 CO -0.01 -0.83 0.87 -0.67 -0.10 0.00 0.00 174.94 174.21 1n02 n ASP 45 N 3.87 -5.33 0.00 3.58 -0.08 -1.26 -2.24 116.55 115.08 1n02 n ASP 45 Ca 0.05 -0.40 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 1n02 n ASP 45 Cb 0.39 -3.95 0.00 0.00 2.34 0.00 0.00 41.12 39.90 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 -1.63 0.86 3.49 0.27 0.00 -1.04 -4.13 105.19 103.01 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 -3.37 3.35 -0.24 2.61 2.01 -0.95 -4.52 115.64 114.53 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 70.15 1n02 s THR 47 CO 0.00 0.57 1.16 -0.76 -0.69 0.00 0.00 174.62 174.91 1n02 s LEU 48 N -0.45 4.06 0.10 4.42 1.43 -1.26 -0.19 118.68 126.80 1n02 s LEU 48 Ca 0.06 1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.55 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 -0.81 0.02 -0.54 0.23 0.00 0.00 176.35 175.28 1n02 s LYS 49 N 3.54 0.82 -0.22 1.70 1.02 -0.56 -4.89 119.74 121.16 1n02 s LYS 49 Ca 0.50 -1.37 -0.23 0.00 0.02 0.00 0.00 55.97 54.90 1n02 s LYS 49 Cb -0.17 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1n02 s LYS 49 CO 0.13 -0.20 0.73 -1.58 -0.92 0.00 0.00 175.35 173.51 1n02 s TRP 50 N -3.97 3.34 -0.27 3.18 0.51 -1.26 0.11 118.94 120.58 1n02 s TRP 50 Ca 0.18 1.03 -0.27 0.00 -2.12 0.00 0.00 56.10 54.91 1n02 s TRP 50 Cb 0.08 -2.92 0.17 0.00 -0.81 0.00 0.00 33.47 29.98 1n02 s TRP 50 CO -0.02 -0.29 1.27 -1.14 -0.51 0.00 0.00 176.95 176.26 1n02 s GLN 51 N 2.36 0.23 -0.48 4.98 0.74 0.37 -4.85 119.66 123.01 1n02 s GLN 51 Ca 0.32 0.14 -0.26 0.00 0.05 0.00 0.00 55.36 55.61 1n02 s GLN 51 Cb -0.16 0.11 -0.26 0.00 1.10 0.00 0.00 33.01 33.81 1n02 s GLN 51 CO 0.09 -0.05 1.79 -0.35 -0.55 0.00 0.00 175.29 176.22 1n02 n PRO 52 N 1.15 0.77 -3.64 1.67 -0.04 -1.25 -3.81 135.00 129.86 1n02 n PRO 52 Ca -0.07 -1.51 -0.08 0.00 -0.04 0.00 0.00 63.50 61.80 1n02 n PRO 52 Cb 0.58 -2.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.12 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 6.18 -0.78 -0.42 3.54 1.04 -1.25 -5.00 113.70 117.02 1n02 s SER 53 Ca 0.65 1.31 -0.28 0.00 0.48 0.00 0.00 55.95 58.11 1n02 s SER 53 Cb 0.13 1.32 0.02 0.00 0.10 0.00 0.00 66.02 67.59 1n02 s SER 53 CO 0.23 -0.21 1.07 0.20 0.98 0.00 0.00 173.24 175.50 1n02 s ASN 54 N 1.17 6.70 0.53 7.02 0.01 -0.31 -3.14 114.94 126.92 1n02 s ASN 54 Ca -0.06 0.60 0.30 0.00 -0.71 0.00 0.00 52.86 52.99 1n02 s ASN 54 Cb -0.05 -2.52 1.44 0.00 0.41 0.00 0.00 41.25 40.53 1n02 s ASN 54 CO -0.13 -1.07 1.90 2.19 -1.51 0.00 0.00 177.10 178.48 1n02 h PHE 55 N 8.80 0.04 0.00 2.20 -5.15 -1.79 -0.92 116.94 120.12 1n02 h PHE 55 Ca -0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.55 1n02 h PHE 55 Cb 1.06 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1n02 h PHE 55 CO 0.91 0.01 0.40 0.66 -2.00 0.00 0.00 178.31 178.28 1n02 h SER 56 N 0.03 0.00 0.11 -0.68 4.64 -1.87 0.49 113.55 116.27 1n02 h SER 56 Ca 0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 1n02 h SER 56 Cb 1.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1n02 h SER 56 CO -0.02 0.00 -0.10 1.56 -0.87 0.00 0.00 176.83 177.40 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.57 -3.16 115.11 119.35 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 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1n02 h GLN 57 CO 0.00 0.10 0.00 0.25 -0.67 0.00 0.00 178.83 178.51 1n02 n THR 58 N -4.35 0.04 -4.32 -0.54 -2.24 0.04 -5.07 114.28 97.85 1n02 n THR 58 Ca -0.03 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1n02 n THR 58 Cb 0.17 1.40 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.14 0.36 -1.06 0.00 1.13 0.55 -4.57 117.35 112.63 1n02 s TYR 60 Ca 0.20 -0.80 -0.04 0.00 -1.41 0.00 0.00 57.07 55.02 1n02 s TYR 60 Cb -0.11 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.49 1n02 s TYR 60 CO 0.12 -0.37 0.91 0.09 -2.51 0.00 0.00 175.55 173.78 1n02 n ASN 61 N 0.45 -3.88 -4.75 -0.18 4.13 -1.26 -2.77 115.26 107.00 1n02 n ASN 61 Ca -0.17 -0.48 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 1n02 n ASN 61 Cb 0.60 -4.28 -0.03 0.00 -1.54 0.00 0.00 39.78 34.53 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 -3.68 6.85 0.02 6.41 0.01 -1.26 -4.27 113.70 117.78 1n02 s SER 62 Ca 0.25 2.53 -0.05 0.00 1.31 0.00 0.00 55.95 59.98 1n02 s SER 62 Cb -0.11 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1n02 s SER 62 CO 0.60 -0.52 0.09 0.00 0.41 0.00 0.00 173.24 173.83 1n02 s ALA 63 N -0.47 -0.13 -0.00 1.44 0.00 0.37 -4.94 121.76 118.02 1n02 s ALA 63 Ca 0.53 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1n02 s ALA 63 Cb -0.38 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1n02 s ALA 63 CO 0.44 -0.26 -0.12 0.42 0.00 0.00 0.00 175.76 176.24 1n02 s ILE 64 N -2.05 0.94 -0.19 0.00 1.01 -1.26 0.91 121.20 120.56 1n02 s ILE 64 Ca -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1n02 s ILE 64 Cb -0.04 -0.80 0.06 0.00 0.01 0.00 0.00 42.46 41.69 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 -0.38 0.30 7.78 2.79 -0.21 -0.81 -4.53 119.66 124.60 1n02 s GLN 65 Ca 0.04 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.18 1n02 s GLN 65 Cb -0.05 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.04 1n02 s GLN 65 CO -0.00 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.90 1n02 n GLY 66 N 5.18 3.13 0.63 3.09 0.00 -1.26 -2.44 105.19 113.52 1n02 n GLY 66 Ca -0.08 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 8.24 2.29 -4.77 1.61 3.41 -1.26 -4.73 113.62 118.41 1n02 n SER 67 Ca 0.00 -1.64 -0.36 0.00 -0.26 0.00 0.00 58.87 56.61 1n02 n SER 67 Cb 0.00 0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.10 5.05 -0.24 -3.33 1.01 -1.02 -2.04 120.40 117.72 1n02 s VAL 68 Ca 0.20 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 1n02 s VAL 68 Cb 0.17 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1n02 s VAL 68 CO 0.42 0.57 0.15 -0.22 0.00 0.00 0.00 175.10 176.02 1n02 s LEU 69 N -0.62 4.01 -0.16 3.92 2.96 -0.35 -1.92 118.68 126.52 1n02 s LEU 69 Ca 0.12 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1n02 s LEU 69 Cb -0.12 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1n02 s LEU 69 CO 0.02 0.04 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.09 1n02 s THR 70 N 1.18 3.01 0.03 3.68 2.01 0.26 -2.56 115.64 123.25 1n02 s THR 70 Ca 0.07 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.26 1n02 s THR 70 Cb -0.14 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.10 1n02 s THR 70 CO 0.05 0.49 0.36 -0.55 -0.69 0.00 0.00 174.62 174.29 1n02 s SER 71 N 0.83 -0.22 -0.19 3.53 0.15 -1.16 0.14 113.70 116.77 1n02 s SER 71 Ca -0.04 -0.02 -0.16 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 -0.60 0.39 -0.89 1.20 0.00 0.00 173.24 173.35 1n02 s THR 72 N -2.21 5.21 0.04 6.45 2.01 -1.11 -1.47 115.64 124.56 1n02 s THR 72 Ca -0.07 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.69 1n02 s THR 72 Cb -0.02 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1n02 s THR 72 CO -0.01 0.27 -0.17 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.15 4.62 0.10 0.00 2.12 -0.28 0.95 118.70 125.06 1n02 s GLU 74 Ca 0.04 1.77 -0.15 0.00 0.36 0.00 0.00 54.97 56.99 1n02 s GLU 74 Cb -0.08 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 1n02 s GLU 74 CO 0.01 0.15 0.51 1.03 -0.54 0.00 0.00 175.26 176.42 1n02 s ARG 75 N -0.93 3.99 0.60 4.30 0.52 -1.09 -2.48 118.95 123.85 1n02 s ARG 75 Ca 0.47 0.49 0.29 0.00 -0.52 0.00 0.00 55.73 56.46 1n02 s ARG 75 Cb -0.31 -3.06 1.47 0.00 0.52 0.00 0.00 34.95 33.57 1n02 s ARG 75 CO 0.38 0.56 1.88 1.15 0.02 0.00 0.00 175.30 179.29 1n02 h THR 76 N 3.13 0.31 -0.03 0.02 2.02 -1.93 0.88 112.91 117.31 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 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 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 -3.59 0.65 0.00 4.18 5.15 -1.26 -5.00 115.26 115.39 1n02 n ASN 77 Ca 0.07 -1.33 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 1n02 n ASN 77 Cb 0.65 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n02 n GLY 78 N 1.02 0.03 0.00 8.20 0.00 0.30 -5.12 105.19 109.62 1n02 n GLY 78 Ca 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1n02 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n02 n GLY 79 N 1.20 -0.20 3.06 -0.02 0.00 -1.26 -4.67 105.19 103.30 1n02 n GLY 79 Ca 0.00 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.59 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 0.96 -0.20 1.61 2.02 -1.26 -2.67 117.35 117.80 1n02 s TYR 80 Ca 0.00 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.37 1n02 s TYR 80 Cb 0.00 -0.60 0.07 0.00 -0.40 0.00 0.00 41.96 41.02 1n02 s TYR 80 CO 0.00 -0.01 0.49 1.21 -1.57 0.00 0.00 175.55 175.67 1n02 s ASN 81 N -0.46 -0.64 -0.05 2.29 2.47 0.27 -4.90 114.94 113.92 1n02 s ASN 81 Ca 0.03 1.08 -0.17 0.00 0.42 0.00 0.00 52.86 54.21 1n02 s ASN 81 Cb -0.05 0.96 -0.05 0.00 -1.45 0.00 0.00 41.25 40.66 1n02 s ASN 81 CO -0.00 -0.21 0.46 0.28 -3.72 0.00 0.00 177.10 173.91 1n02 s THR 82 N 1.48 5.07 0.24 -5.21 -1.32 -1.26 0.65 115.64 115.28 1n02 s THR 82 Ca -0.10 0.94 0.11 0.00 -1.21 0.00 0.00 61.69 61.43 1n02 s THR 82 Cb -0.07 -3.78 -0.05 0.00 -1.51 0.00 0.00 72.50 67.08 1n02 s THR 82 CO -0.15 0.46 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.58 1n02 s SER 83 N -0.27 3.25 0.06 8.08 1.04 -0.54 -4.92 113.70 120.41 1n02 s SER 83 Ca 0.25 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.79 1n02 s SER 83 Cb -0.16 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 1n02 s SER 83 CO 0.13 0.01 -0.24 -0.94 0.98 0.00 0.00 173.24 173.17 1n02 s SER 84 N -3.21 2.92 -0.04 7.02 1.04 -1.26 -3.00 113.70 117.16 1n02 s SER 84 Ca 0.25 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 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 0.20 0.15 -0.51 0.98 0.00 0.00 173.24 174.18 1n02 s ILE 85 N -0.86 0.03 -0.31 -1.02 2.07 -1.06 -4.91 121.20 115.15 1n02 s ILE 85 Ca 0.10 -0.24 -0.14 0.00 -1.41 0.00 0.00 60.65 58.96 1n02 s ILE 85 Cb -0.10 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 1n02 s ILE 85 CO 0.03 -0.13 0.34 -0.62 -1.91 0.00 0.00 174.94 172.64 1n02 s ASP 86 N -0.41 6.18 0.00 4.50 2.15 -1.26 -1.21 116.67 126.62 1n02 s ASP 86 Ca -0.05 -0.03 0.23 0.00 0.43 0.00 0.00 52.55 53.13 1n02 s ASP 86 Cb -0.03 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 1n02 s ASP 86 CO 0.01 -0.24 1.12 0.18 -0.17 0.00 0.00 175.17 176.07 1n02 n LEU 87 N 5.31 2.01 -0.41 -1.34 4.77 -0.87 -4.50 117.00 121.98 1n02 n LEU 87 Ca -0.10 -0.74 0.40 0.00 -0.03 0.00 0.00 56.01 55.54 1n02 n LEU 87 Cb 0.50 -0.01 0.74 0.00 -2.33 0.00 0.00 43.42 42.33 1n02 n LEU 87 CO 0.38 0.37 1.36 -1.13 -1.33 0.00 0.00 177.39 177.05 1n02 h ASN 88 N 2.46 0.00 0.20 -1.43 -0.00 -1.87 0.17 115.58 115.11 1n02 h ASN 88 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.01 1n02 h ASN 88 Cb 0.75 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.10 1n02 h ASN 88 CO 0.00 0.00 -1.32 0.28 -0.00 0.00 0.00 177.43 176.39 1n02 h SER 89 N 0.00 0.67 0.13 1.15 0.02 -1.95 0.50 113.55 114.07 1n02 h SER 89 Ca 0.66 -0.93 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1n02 h SER 89 Cb 2.77 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 65.10 1n02 h SER 89 CO -0.01 1.63 -0.06 -0.37 -1.14 0.00 0.00 176.83 176.88 1n02 h VAL 90 N -0.05 1.03 -3.80 2.27 -1.51 -0.99 -3.03 116.25 110.17 1n02 h VAL 90 Ca -0.24 -1.05 -0.48 0.00 -1.23 0.00 0.00 66.70 63.70 1n02 h VAL 90 Cb 1.97 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 1n02 h VAL 90 CO 0.21 0.23 0.20 -0.63 -1.23 0.00 0.00 177.57 176.35 1n02 s ILE 91 N -3.97 4.50 0.15 7.19 1.09 -0.78 -3.96 121.20 125.43 1n02 s ILE 91 Ca -0.14 1.32 -0.00 0.00 -1.10 0.00 0.00 60.65 60.73 1n02 s ILE 91 Cb 0.01 -3.74 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 1n02 s ILE 91 CO 0.57 -0.06 0.05 -0.70 -0.10 0.00 0.00 174.94 174.70 1n02 s GLU 92 N -2.61 1.01 -0.49 2.79 2.12 0.37 -3.08 118.70 118.80 1n02 s GLU 92 Ca 0.52 -1.49 -0.10 0.00 0.36 0.00 0.00 54.97 54.27 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 0.18 -0.24 0.38 1.21 -0.54 0.00 0.00 175.26 176.25 1n02 s ASN 93 N -3.10 5.78 -0.65 -1.70 2.47 -1.26 -0.13 114.94 116.36 1n02 s ASN 93 Ca 0.25 -1.94 -0.17 0.00 0.42 0.00 0.00 52.86 51.42 1n02 s ASN 93 Cb 0.07 -2.04 0.14 0.00 -1.45 0.00 0.00 41.25 37.98 1n02 s ASN 93 CO 0.03 -0.71 0.67 -0.69 -3.72 0.00 0.00 177.10 172.69 1n02 s VAL 94 N 1.33 5.14 -1.30 -5.21 1.01 0.11 -4.49 120.40 116.98 1n02 s VAL 94 Ca 0.06 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 1n02 s VAL 94 Cb -0.26 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.70 1n02 s VAL 94 CO -0.01 -1.04 0.33 -0.67 0.00 0.00 0.00 175.10 173.71 1n02 n ASP 95 N 5.42 -4.46 0.00 3.32 2.03 -1.26 -1.83 116.55 119.76 1n02 n ASP 95 Ca -0.04 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1n02 n ASP 95 Cb 0.43 -3.70 0.00 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.12 1.38 2.87 0.27 0.00 -1.26 -4.64 105.19 102.69 1n02 n GLY 96 Ca -0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.32 -0.02 -0.15 1.61 0.01 -0.76 -4.55 113.70 107.50 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 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1n02 s SER 97 CO 0.00 -0.07 1.32 -0.76 0.41 0.00 0.00 173.24 174.14 1n02 s LEU 98 N 0.54 4.19 -0.08 2.44 1.43 -1.25 0.09 118.68 126.05 1n02 s LEU 98 Ca -0.04 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 54.85 1n02 s LEU 98 Cb -0.06 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1n02 s LEU 98 CO -0.02 -0.80 -0.20 -0.54 0.23 0.00 0.00 176.35 175.02 1n02 s LYS 99 N 3.60 2.50 -0.11 1.70 1.02 0.82 -4.80 119.74 124.47 1n02 s LYS 99 Ca 0.58 -0.73 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 1n02 s LYS 99 Cb -0.23 -1.96 -0.27 0.00 -0.52 0.00 0.00 37.83 34.84 1n02 s LYS 99 CO 0.17 0.16 0.63 -0.92 -0.92 0.00 0.00 175.35 174.47 1n02 h TYR 100 N 6.67 0.33 0.00 3.18 5.03 -1.88 1.07 116.97 131.38 1n02 h TYR 100 Ca -0.25 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 60.82 1n02 h TYR 100 Cb 1.21 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.48 1n02 h TYR 100 CO 0.47 1.39 0.00 -1.91 -1.32 0.00 0.00 178.16 176.79