#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 -2.04 0.00 0.99 7.94 -1.26 -4.84 117.00 117.79 1n02 n LEU 1 Ca 0.00 2.56 0.00 0.00 -1.11 0.00 0.00 56.01 57.46 1n02 n LEU 1 Cb 0.00 -2.33 0.00 0.00 0.53 0.00 0.00 43.42 41.62 1n02 n LEU 1 CO 0.00 0.37 0.00 0.61 -1.11 0.00 0.00 177.39 177.26 1n02 n GLY 2 N -0.92 1.02 2.81 -3.96 0.00 -1.24 -4.35 105.19 98.54 1n02 n GLY 2 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 -1.20 -0.03 1.61 5.02 0.16 -4.69 118.16 119.04 1n02 n LYS 3 Ca 0.00 1.24 -0.18 0.00 -2.02 0.00 0.00 58.31 57.35 1n02 n LYS 3 Cb 0.00 -5.02 -0.14 0.00 -0.02 0.00 0.00 35.03 29.85 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 -1.82 0.93 0.30 2.13 -1.74 -1.18 -4.02 117.46 112.07 1n02 n PHE 4 Ca -0.01 0.22 0.10 0.00 -0.56 0.00 0.00 57.45 57.20 1n02 n PHE 4 Cb 0.51 -1.13 0.45 0.00 1.52 0.00 0.00 39.48 40.83 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 -3.34 1.02 0.13 1.97 0.13 -1.26 -0.03 119.36 117.98 1n02 n ILE 5 Ca -0.32 0.41 -0.00 0.00 -1.10 0.00 0.00 62.75 61.74 1n02 n ILE 5 Cb 1.04 -1.34 0.07 0.00 -0.84 0.00 0.00 39.64 38.57 1n02 n ILE 5 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1n02 h GLU 6 N 0.00 0.00 -0.05 9.51 4.57 -1.96 -3.25 114.58 123.41 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1n02 h GLU 6 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1n02 h GLU 6 CO 0.00 0.64 0.00 0.25 -1.18 0.00 0.00 179.01 178.72 1n02 n THR 7 N -3.40 1.12 -4.30 0.32 -2.24 -0.44 -5.03 114.28 100.31 1n02 n THR 7 Ca 0.01 -1.15 -0.24 0.00 -2.27 0.00 0.00 64.05 60.40 1n02 n THR 7 Cb 0.73 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.89 1.59 -1.21 0.00 1.70 -0.37 -4.70 118.95 114.06 1n02 s ARG 9 Ca 0.07 -1.90 -0.15 0.00 -0.47 0.00 0.00 55.73 53.28 1n02 s ARG 9 Cb -0.10 -0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 33.96 1n02 s ARG 9 CO 0.04 -0.37 0.71 0.27 -1.08 0.00 0.00 175.30 174.87 1n02 n ASN 10 N -0.81 -3.88 -4.73 -2.89 0.23 -1.26 -2.34 115.26 99.58 1n02 n ASN 10 Ca -0.01 -1.00 -0.41 0.00 -0.53 0.00 0.00 54.58 52.64 1n02 n ASN 10 Cb 0.66 -3.39 -0.04 0.00 -2.08 0.00 0.00 39.78 34.93 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 4.47 0.19 5.53 -4.23 -1.26 -4.24 115.64 112.51 1n02 s THR 11 Ca 0.33 2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 62.65 1n02 s THR 11 Cb -0.12 -4.28 0.04 0.00 1.34 0.00 0.00 72.50 69.49 1n02 s THR 11 CO 0.86 0.28 0.55 0.00 -0.54 0.00 0.00 174.62 175.77 1n02 s GLN 12 N 0.17 1.37 -0.12 3.99 -2.07 -0.85 -4.39 119.66 117.77 1n02 s GLN 12 Ca 0.49 -0.76 -0.11 0.00 -1.82 0.00 0.00 55.36 53.15 1n02 s GLN 12 Cb -0.24 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1n02 s GLN 12 CO 0.30 -0.59 0.23 -1.17 -1.32 0.00 0.00 175.29 172.74 1n02 s LEU 13 N -2.84 4.34 0.04 2.60 2.96 -1.26 -1.12 118.68 123.41 1n02 s LEU 13 Ca 0.07 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.61 1n02 s LEU 13 Cb -0.01 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1n02 s LEU 13 CO -0.05 0.28 -0.25 0.00 -1.32 0.00 0.00 176.35 175.01 1n02 s ALA 14 N -0.47 2.15 0.00 5.97 0.00 0.39 -4.87 121.76 124.94 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 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1n02 s ALA 14 CO 0.05 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1n02 n GLY 15 N 1.81 1.01 0.12 0.00 0.00 -1.26 -1.00 105.19 105.87 1n02 n GLY 15 Ca -0.17 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 6.26 0.44 -0.22 1.61 0.02 -1.97 -3.41 113.55 116.28 1n02 h SER 16 Ca 0.00 -0.66 -0.21 0.00 -0.84 0.00 0.00 61.79 60.08 1n02 h SER 16 Cb 0.00 -0.14 -0.37 0.00 0.14 0.00 0.00 62.40 62.03 1n02 h SER 16 CO 0.00 1.56 -1.00 -1.54 -1.14 0.00 0.00 176.83 174.71 1n02 n SER 17 N -3.47 1.05 -4.55 3.07 3.41 -1.25 -4.65 113.62 107.22 1n02 n SER 17 Ca -0.20 -2.02 -0.31 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 64.59 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 -1.90 2.21 -0.14 4.33 8.01 -0.17 -1.20 118.70 129.83 1n02 s GLU 18 Ca 0.27 -0.94 0.02 0.00 0.01 0.00 0.00 54.97 54.34 1n02 s GLU 18 Cb 0.34 -2.32 0.01 0.00 -4.31 0.00 0.00 34.13 27.85 1n02 s GLU 18 CO -0.09 0.54 -0.21 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -1.81 2.15 0.03 1.80 2.96 -0.22 0.15 118.68 123.73 1n02 s LEU 19 Ca 0.18 -0.59 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1n02 s LEU 19 Cb -0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1n02 s LEU 19 CO 0.10 0.08 -0.25 0.00 -1.32 0.00 0.00 176.35 174.95 1n02 s ALA 20 N 0.84 2.12 0.28 5.97 0.00 -0.28 -0.37 121.76 130.32 1n02 s ALA 20 Ca -0.06 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1n02 s ALA 20 Cb -0.15 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1n02 s ALA 20 CO -0.02 0.50 0.80 0.00 0.00 0.00 0.00 175.76 177.04 1n02 s ALA 21 N -0.75 -1.20 -0.11 0.00 0.00 -0.18 -2.01 121.76 117.51 1n02 s ALA 21 Ca 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1n02 s ALA 21 Cb -0.10 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1n02 s ALA 21 CO 0.01 -1.03 -0.08 -1.21 0.00 0.00 0.00 175.76 173.45 1n02 s GLU 22 N -3.32 3.22 -0.04 0.00 2.02 -0.99 0.36 118.70 119.96 1n02 s GLU 22 Ca 0.13 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.56 1n02 s GLU 22 Cb -0.05 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1n02 s GLU 22 CO 0.07 0.40 -0.10 0.00 0.02 0.00 0.00 175.26 175.64 1n02 s LYS 24 N 0.33 4.30 0.56 0.00 -2.85 -1.09 -2.36 119.74 118.63 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 -3.10 0.12 0.00 -2.06 0.00 0.00 37.83 32.68 1n02 s LYS 24 CO 0.01 -0.33 0.77 0.25 0.10 0.00 0.00 175.35 176.14 1n02 n THR 25 N 1.78 0.00 0.20 3.79 -2.24 0.34 -3.97 114.28 114.19 1n02 n THR 25 Ca 0.04 -0.80 0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1n02 n THR 25 Cb 0.41 -1.41 0.55 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.09 -0.14 -0.78 3.08 -1.88 -1.48 114.38 113.26 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 0.78 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1n02 h ARG 26 CO 0.21 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 1n02 n ALA 27 N -2.52 2.48 -3.19 0.04 0.00 -1.26 -4.87 120.51 111.19 1n02 n ALA 27 Ca -0.02 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1n02 n ALA 27 Cb 0.15 -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 -0.08 -5.15 -5.07 0.00 6.02 -0.56 -5.03 117.38 107.52 1n02 n GLN 28 Ca 0.05 0.56 -0.32 0.00 -0.01 0.00 0.00 57.00 57.28 1n02 n GLN 28 Cb 0.12 -4.79 -0.15 0.00 1.02 0.00 0.00 30.24 26.45 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 -5.82 2.63 -0.20 -1.09 -0.21 -1.26 -4.85 119.66 108.85 1n02 s GLN 29 Ca 0.37 -0.80 -0.18 0.00 0.02 0.00 0.00 55.36 54.77 1n02 s GLN 29 Cb -0.16 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.51 1n02 s GLN 29 CO 0.46 0.45 0.48 -0.06 -2.12 0.00 0.00 175.29 174.50 1n02 s PHE 30 N -0.31 3.37 0.07 0.91 0.40 -1.26 0.13 117.98 121.29 1n02 s PHE 30 Ca 0.02 0.72 0.06 0.00 -0.60 0.00 0.00 56.93 57.12 1n02 s PHE 30 Cb -0.13 -2.63 -0.03 0.00 0.51 0.00 0.00 43.02 40.75 1n02 s PHE 30 CO 0.02 -0.08 -0.16 0.14 0.70 0.00 0.00 175.22 175.84 1n02 s VAL 31 N 1.56 1.29 0.22 -0.44 -7.23 -1.00 -4.92 120.40 109.89 1n02 s VAL 31 Ca 0.22 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1n02 s VAL 31 Cb -0.15 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.50 1n02 s VAL 31 CO 0.09 -0.13 1.19 -0.44 -0.31 0.00 0.00 175.10 175.51 1n02 s SER 32 N -1.66 7.09 0.08 4.85 0.01 -1.26 -0.86 113.70 121.95 1n02 s SER 32 Ca 0.01 2.30 -0.03 0.00 1.31 0.00 0.00 55.95 59.54 1n02 s SER 32 Cb -0.10 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1n02 s SER 32 CO 0.03 -0.34 0.06 0.28 0.41 0.00 0.00 173.24 173.67 1n02 s THR 33 N -0.42 0.17 0.03 1.44 -1.32 0.16 -4.90 115.64 110.80 1n02 s THR 33 Ca 0.51 -1.65 -0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1n02 s THR 33 Cb -0.33 -1.58 -0.03 0.00 -1.51 0.00 0.00 72.50 69.05 1n02 s THR 33 CO 0.39 -0.78 -0.03 -0.75 -2.21 0.00 0.00 174.62 171.24 1n02 s LYS 34 N -3.93 0.44 -0.04 7.08 2.20 -1.26 -1.01 119.74 123.22 1n02 s LYS 34 Ca 0.10 -0.87 -0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1n02 s LYS 34 Cb 0.07 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1n02 s LYS 34 CO -0.08 -0.07 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.34 1n02 s ILE 35 N -2.49 0.26 -0.34 5.43 1.10 0.50 -4.41 121.20 121.24 1n02 s ILE 35 Ca -0.06 0.09 -0.23 0.00 -0.51 0.00 0.00 60.65 59.95 1n02 s ILE 35 Cb -0.02 -0.37 0.00 0.00 0.15 0.00 0.00 42.46 42.22 1n02 s ILE 35 CO -0.05 0.19 0.75 0.21 -2.11 0.00 0.00 174.94 173.93 1n02 s ASN 36 N 1.35 6.56 0.17 4.50 2.47 -1.26 -1.06 114.94 127.67 1n02 s ASN 36 Ca -0.05 0.42 0.24 0.00 0.42 0.00 0.00 52.86 53.89 1n02 s ASN 36 Cb -0.13 -2.38 0.33 0.00 -1.45 0.00 0.00 41.25 37.61 1n02 s ASN 36 CO -0.02 -0.65 1.34 -0.07 -3.72 0.00 0.00 177.10 173.98 1n02 h LEU 37 N 9.55 0.00 -0.58 3.21 4.07 -1.51 -3.29 115.31 126.77 1n02 h LEU 37 Ca -0.25 -0.13 0.06 0.00 0.08 0.00 0.00 57.88 57.64 1n02 h LEU 37 Cb 1.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1n02 h LEU 37 CO 0.88 0.06 0.29 0.44 -1.08 0.00 0.00 178.44 179.04 1n02 h ASP 38 N 0.00 0.42 0.42 -0.43 5.19 -1.55 1.04 116.42 121.51 1n02 h ASP 38 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1n02 h ASP 38 Cb 0.82 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1n02 h ASP 38 CO 0.00 0.28 -0.63 0.47 -3.12 0.00 0.00 179.24 176.24 1n02 n ASP 39 N -4.86 0.61 -0.05 6.45 8.00 -1.26 -1.32 116.55 124.12 1n02 n ASP 39 Ca 0.06 -0.37 -0.04 0.00 0.71 0.00 0.00 54.79 55.15 1n02 n ASP 39 Cb 0.16 0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.14 -2.79 1.24 8.25 -0.85 -3.77 115.22 115.88 1n02 n HIS 40 Ca 0.05 0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 1n02 n HIS 40 Cb 0.34 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.96 4.30 0.23 1.59 -1.09 0.35 -0.72 121.20 123.90 1n02 s ILE 41 Ca -0.14 1.59 0.01 0.00 -2.23 0.00 0.00 60.65 59.88 1n02 s ILE 41 Cb 0.02 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1n02 s ILE 41 CO 0.21 -0.16 0.16 0.00 -1.23 0.00 0.00 174.94 173.92 1n02 s ALA 42 N -1.98 1.32 -0.30 9.38 0.00 0.20 -3.64 121.76 126.75 1n02 s ALA 42 Ca 0.58 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1n02 s ALA 42 Cb -0.13 1.41 0.04 0.00 0.00 0.00 0.00 23.12 24.44 1n02 s ALA 42 CO 0.17 -0.61 0.02 1.21 0.00 0.00 0.00 175.76 176.55 1n02 s ASN 43 N -3.21 4.92 -0.67 0.00 2.47 -1.26 -1.77 114.94 115.42 1n02 s ASN 43 Ca 0.39 -1.13 -0.04 0.00 0.42 0.00 0.00 52.86 52.51 1n02 s ASN 43 Cb 0.06 -1.76 0.17 0.00 -1.45 0.00 0.00 41.25 38.28 1n02 s ASN 43 CO 0.15 -0.25 0.50 -0.63 -3.72 0.00 0.00 177.10 173.15 1n02 s ILE 44 N 1.32 3.94 -0.87 -5.21 1.09 0.05 -4.65 121.20 116.87 1n02 s ILE 44 Ca -0.03 -3.01 -0.04 0.00 -1.10 0.00 0.00 60.65 56.47 1n02 s ILE 44 Cb -0.19 -3.54 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1n02 s ILE 44 CO -0.00 -0.91 0.58 -0.67 -0.10 0.00 0.00 174.94 173.84 1n02 n ASP 45 N 3.42 -4.53 0.00 3.58 -0.08 -1.26 -2.62 116.55 115.05 1n02 n ASP 45 Ca 0.10 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1n02 n ASP 45 Cb 0.38 -3.23 0.00 0.00 2.34 0.00 0.00 41.12 40.62 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 -1.34 0.82 3.51 0.27 0.00 -1.14 -4.36 105.19 102.95 1n02 n GLY 46 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.16 3.51 -0.26 2.61 2.01 -1.08 -4.51 115.64 114.76 1n02 s THR 47 Ca 0.00 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1n02 s THR 47 Cb 0.00 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.06 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 -0.37 4.01 0.11 4.42 1.43 -1.26 -0.77 118.68 126.25 1n02 s LEU 48 Ca 0.05 1.31 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1n02 s LEU 48 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.02 -0.88 0.01 -0.54 0.23 0.00 0.00 176.35 175.19 1n02 s LYS 49 N 3.70 0.86 -0.25 1.70 1.02 -0.73 -4.89 119.74 121.16 1n02 s LYS 49 Ca 0.51 -1.38 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 1n02 s LYS 49 Cb -0.16 0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 1n02 s LYS 49 CO 0.16 -0.16 0.79 -1.58 -0.92 0.00 0.00 175.35 173.64 1n02 s TRP 50 N -3.88 3.30 -0.27 3.18 0.51 -1.26 0.62 118.94 121.13 1n02 s TRP 50 Ca 0.18 1.06 -0.27 0.00 -2.12 0.00 0.00 56.10 54.95 1n02 s TRP 50 Cb 0.07 -3.02 0.17 0.00 -0.81 0.00 0.00 33.47 29.87 1n02 s TRP 50 CO -0.02 -0.40 1.27 -1.14 -0.51 0.00 0.00 176.95 176.16 1n02 s GLN 51 N 2.79 0.23 -0.51 4.98 0.74 0.10 -4.87 119.66 123.12 1n02 s GLN 51 Ca 0.33 0.19 -0.27 0.00 0.05 0.00 0.00 55.36 55.66 1n02 s GLN 51 Cb -0.15 0.11 -0.26 0.00 1.10 0.00 0.00 33.01 33.81 1n02 s GLN 51 CO 0.08 -0.05 1.80 -0.35 -0.55 0.00 0.00 175.29 176.22 1n02 n PRO 52 N 1.38 0.70 -3.64 1.67 -0.04 -1.25 -3.76 135.00 130.06 1n02 n PRO 52 Ca -0.09 -1.52 -0.08 0.00 -0.04 0.00 0.00 63.50 61.77 1n02 n PRO 52 Cb 0.57 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 31.03 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 6.41 -0.72 -0.48 3.54 1.04 -1.25 -5.01 113.70 117.23 1n02 s SER 53 Ca 0.66 1.24 -0.29 0.00 0.48 0.00 0.00 55.95 58.04 1n02 s SER 53 Cb 0.11 1.28 0.03 0.00 0.10 0.00 0.00 66.02 67.54 1n02 s SER 53 CO 0.23 -0.20 1.12 0.20 0.98 0.00 0.00 173.24 175.57 1n02 s ASN 54 N 1.07 6.61 0.53 7.02 -0.87 -0.43 -3.05 114.94 125.82 1n02 s ASN 54 Ca -0.05 0.42 0.32 0.00 -1.57 0.00 0.00 52.86 51.98 1n02 s ASN 54 Cb -0.05 -2.54 1.47 0.00 -0.02 0.00 0.00 41.25 40.12 1n02 s ASN 54 CO -0.12 -1.25 1.86 2.19 -2.57 0.00 0.00 177.10 177.21 1n02 h PHE 55 N 9.24 0.05 0.00 2.20 -5.15 -1.78 -1.19 116.94 120.30 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 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1n02 h PHE 55 CO 0.97 0.01 0.57 0.66 -2.00 0.00 0.00 178.31 178.52 1n02 h SER 56 N 0.03 0.00 0.03 -0.68 4.64 -1.90 0.17 113.55 115.85 1n02 h SER 56 Ca 0.48 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1n02 h SER 56 Cb 1.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1n02 h SER 56 CO -0.02 0.00 -0.02 1.56 -0.87 0.00 0.00 176.83 177.48 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.63 -3.08 115.11 116.26 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 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1n02 h GLN 57 CO 0.00 0.02 0.00 0.25 -0.95 0.00 0.00 178.83 178.15 1n02 n THR 58 N -3.98 0.01 -4.26 -0.54 -2.24 -0.03 -5.06 114.28 98.18 1n02 n THR 58 Ca -0.03 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1n02 n THR 58 Cb 0.10 1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.28 -0.98 0.00 1.13 0.48 -4.58 117.35 112.50 1n02 s TYR 60 Ca 0.22 -0.70 -0.03 0.00 -1.41 0.00 0.00 57.07 55.15 1n02 s TYR 60 Cb -0.11 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.56 1n02 s TYR 60 CO 0.14 -0.42 0.84 0.09 -2.51 0.00 0.00 175.55 173.68 1n02 n ASN 61 N 0.35 -3.56 -4.75 -0.18 3.02 -1.26 -2.76 115.26 106.12 1n02 n ASN 61 Ca -0.16 -0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 53.53 1n02 n ASN 61 Cb 0.60 -4.03 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 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 -3.68 6.91 0.02 6.41 0.01 -1.26 -4.28 113.70 117.83 1n02 s SER 62 Ca 0.21 2.45 -0.02 0.00 1.31 0.00 0.00 55.95 59.90 1n02 s SER 62 Cb -0.09 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 1n02 s SER 62 CO 0.56 -0.48 0.01 0.00 0.41 0.00 0.00 173.24 173.74 1n02 s ALA 63 N -0.32 0.02 -0.02 1.44 0.00 0.42 -4.95 121.76 118.37 1n02 s ALA 63 Ca 0.53 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.03 1n02 s ALA 63 Cb -0.37 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1n02 s ALA 63 CO 0.42 -0.18 -0.14 0.42 0.00 0.00 0.00 175.76 176.28 1n02 s ILE 64 N -1.57 1.11 -0.18 0.00 1.01 -1.26 0.11 121.20 120.42 1n02 s ILE 64 Ca -0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1n02 s ILE 64 Cb -0.09 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.51 1n02 s ILE 64 CO -0.01 0.32 0.05 -1.10 0.00 0.00 0.00 174.94 174.20 1n02 s GLN 65 N -0.23 0.47 7.91 2.79 -1.52 -0.74 -4.54 119.66 123.80 1n02 s GLN 65 Ca 0.03 -0.31 0.00 0.00 -1.95 0.00 0.00 55.36 53.14 1n02 s GLN 65 Cb -0.06 -2.00 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 1n02 s GLN 65 CO -0.00 -0.64 0.00 0.41 -0.25 0.00 0.00 175.29 174.80 1n02 n GLY 66 N 5.12 3.42 0.37 3.09 0.00 -1.26 -2.37 105.19 113.57 1n02 n GLY 66 Ca -0.08 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 8.65 1.73 -4.86 1.61 3.41 -1.26 -4.68 113.62 118.22 1n02 n SER 67 Ca 0.00 -1.36 -0.36 0.00 -0.26 0.00 0.00 58.87 56.89 1n02 n SER 67 Cb 0.00 0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.39 5.32 -0.21 -3.33 1.01 -1.00 -2.48 120.40 117.33 1n02 s VAL 68 Ca 0.15 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1n02 s VAL 68 Cb 0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1n02 s VAL 68 CO 0.57 0.56 0.08 -0.22 0.00 0.00 0.00 175.10 176.08 1n02 s LEU 69 N -1.20 3.74 -0.15 3.92 2.96 -0.73 -1.79 118.68 125.43 1n02 s LEU 69 Ca 0.17 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1n02 s LEU 69 Cb -0.12 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1n02 s LEU 69 CO 0.07 0.10 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.16 1n02 s THR 70 N 0.80 2.71 0.03 3.68 2.01 0.31 -2.85 115.64 122.32 1n02 s THR 70 Ca 0.04 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1n02 s THR 70 Cb -0.13 -2.15 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1n02 s THR 70 CO 0.02 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.28 1n02 s SER 71 N 0.77 -0.23 -0.19 3.53 0.15 -1.18 0.16 113.70 116.71 1n02 s SER 71 Ca -0.06 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 1n02 s SER 71 Cb -0.15 0.39 -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 0.00 173.24 173.35 1n02 s THR 72 N -2.27 5.20 0.02 6.45 2.01 -1.11 -1.54 115.64 124.41 1n02 s THR 72 Ca -0.07 0.73 0.07 0.00 0.31 0.00 0.00 61.69 62.74 1n02 s THR 72 Cb -0.02 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1n02 s THR 72 CO -0.01 0.26 -0.21 0.00 -0.69 0.00 0.00 174.62 173.98 1n02 s GLU 74 N -0.89 4.54 0.06 0.00 2.12 0.67 0.57 118.70 125.78 1n02 s GLU 74 Ca 0.08 1.86 -0.14 0.00 0.36 0.00 0.00 54.97 57.13 1n02 s GLU 74 Cb -0.08 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 1n02 s GLU 74 CO 0.01 0.02 0.46 1.03 -0.54 0.00 0.00 175.26 176.24 1n02 s ARG 75 N -0.75 3.93 0.55 4.30 0.52 -1.02 -2.88 118.95 123.60 1n02 s ARG 75 Ca 0.49 0.41 0.30 0.00 -0.52 0.00 0.00 55.73 56.42 1n02 s ARG 75 Cb -0.33 -3.10 1.46 0.00 0.52 0.00 0.00 34.95 33.51 1n02 s ARG 75 CO 0.39 0.60 1.91 1.15 0.02 0.00 0.00 175.30 179.38 1n02 h THR 76 N 3.26 0.56 -0.01 0.02 2.02 -1.93 0.81 112.91 117.64 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 1.21 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1n02 h THR 76 CO 0.64 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.12 1n02 n ASN 77 N -4.19 0.38 0.00 4.18 4.13 -1.26 -4.99 115.26 113.52 1n02 n ASN 77 Ca 0.15 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1n02 n ASN 77 Cb 0.83 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.06 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 0.27 0.00 7.41 0.00 0.28 -5.13 105.19 109.01 1n02 n GLY 78 Ca 0.20 -1.36 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 -0.16 3.09 -0.02 0.00 -1.26 -4.68 105.19 103.51 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 1.05 -0.20 1.61 2.02 -1.26 -2.43 117.35 118.14 1n02 s TYR 80 Ca 0.00 -0.26 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 1n02 s TYR 80 Cb 0.00 -0.65 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 1n02 s TYR 80 CO 0.00 -0.00 0.48 1.21 -1.57 0.00 0.00 175.55 175.67 1n02 s ASN 81 N -0.65 -0.60 -0.06 2.29 3.84 0.19 -4.91 114.94 115.04 1n02 s ASN 81 Ca 0.02 1.07 -0.16 0.00 0.21 0.00 0.00 52.86 54.00 1n02 s ASN 81 Cb -0.06 1.05 -0.05 0.00 -0.55 0.00 0.00 41.25 41.64 1n02 s ASN 81 CO 0.00 -0.21 0.44 0.28 -2.79 0.00 0.00 177.10 174.82 1n02 s THR 82 N 1.69 5.10 0.24 -5.21 -1.32 -1.26 0.82 115.64 115.69 1n02 s THR 82 Ca -0.08 0.89 0.11 0.00 -1.21 0.00 0.00 61.69 61.40 1n02 s THR 82 Cb -0.08 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1n02 s THR 82 CO -0.15 0.46 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.58 1n02 s SER 83 N -0.24 3.34 0.05 8.08 1.04 -0.59 -4.92 113.70 120.47 1n02 s SER 83 Ca 0.24 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1n02 s SER 83 Cb -0.16 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 1n02 s SER 83 CO 0.12 0.02 -0.23 -0.44 0.98 0.00 0.00 173.24 173.69 1n02 s SER 84 N -3.24 2.75 -0.05 7.02 0.01 -1.26 -3.12 113.70 115.82 1n02 s SER 84 Ca 0.26 -0.55 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 1n02 s SER 84 Cb -0.05 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1n02 s SER 84 CO 0.12 0.20 0.17 -0.51 0.41 0.00 0.00 173.24 173.62 1n02 s ILE 85 N -0.81 0.02 -0.34 1.44 2.07 -1.13 -4.91 121.20 117.54 1n02 s ILE 85 Ca 0.09 -0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 58.97 1n02 s ILE 85 Cb -0.09 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 1n02 s ILE 85 CO 0.02 -0.11 0.44 -0.62 -1.91 0.00 0.00 174.94 172.76 1n02 s ASP 86 N -0.33 6.25 0.00 4.50 2.15 -1.26 -1.77 116.67 126.22 1n02 s ASP 86 Ca -0.04 -0.09 0.24 0.00 0.43 0.00 0.00 52.55 53.08 1n02 s ASP 86 Cb -0.03 -2.23 0.21 0.00 -0.30 0.00 0.00 42.92 40.56 1n02 s ASP 86 CO 0.01 -0.40 1.22 0.18 -0.17 0.00 0.00 175.17 176.01 1n02 n LEU 87 N 5.55 1.65 -0.42 -1.34 4.77 -1.03 -4.46 117.00 121.72 1n02 n LEU 87 Ca -0.07 -0.59 0.40 0.00 -0.03 0.00 0.00 56.01 55.72 1n02 n LEU 87 Cb 0.49 -0.04 0.73 0.00 -2.33 0.00 0.00 43.42 42.28 1n02 n LEU 87 CO 0.42 0.31 1.37 -1.13 -1.33 0.00 0.00 177.39 177.03 1n02 h ASN 88 N 1.89 0.00 0.36 -1.43 -0.00 -1.87 0.31 115.58 114.84 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 0.67 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.00 1n02 h ASN 88 CO 0.00 0.00 -1.51 0.28 -0.00 0.00 0.00 177.43 176.20 1n02 h SER 89 N 0.00 0.62 0.09 1.15 0.02 -1.78 0.47 113.55 114.11 1n02 h SER 89 Ca 0.66 -0.75 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1n02 h SER 89 Cb 2.83 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 65.17 1n02 h SER 89 CO -0.01 1.61 -0.04 -0.37 -1.14 0.00 0.00 176.83 176.88 1n02 h VAL 90 N 0.11 1.10 -3.80 2.27 -1.51 -0.64 -3.31 116.25 110.48 1n02 h VAL 90 Ca -0.25 -1.37 -0.48 0.00 -1.23 0.00 0.00 66.70 63.36 1n02 h VAL 90 Cb 2.09 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 33.12 1n02 h VAL 90 CO 0.22 0.30 0.24 -0.63 -1.23 0.00 0.00 177.57 176.46 1n02 s ILE 91 N -3.24 4.43 0.18 7.19 1.09 -0.77 -3.89 121.20 126.19 1n02 s ILE 91 Ca -0.14 1.46 0.00 0.00 -1.10 0.00 0.00 60.65 60.88 1n02 s ILE 91 Cb -0.00 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1n02 s ILE 91 CO 0.53 0.02 0.07 -0.70 -0.10 0.00 0.00 174.94 174.76 1n02 s GLU 92 N -2.40 1.14 -0.48 2.79 2.12 0.40 -3.08 118.70 119.18 1n02 s GLU 92 Ca 0.51 -1.58 -0.09 0.00 0.36 0.00 0.00 54.97 54.18 1n02 s GLU 92 Cb -0.15 -0.00 0.12 0.00 0.26 0.00 0.00 34.13 34.36 1n02 s GLU 92 CO 0.20 -0.26 0.35 1.21 -0.54 0.00 0.00 175.26 176.22 1n02 s ASN 93 N -3.16 5.69 -0.68 -1.70 2.47 -1.26 -0.17 114.94 116.13 1n02 s ASN 93 Ca 0.30 -1.97 -0.16 0.00 0.42 0.00 0.00 52.86 51.44 1n02 s ASN 93 Cb 0.07 -2.00 0.15 0.00 -1.45 0.00 0.00 41.25 38.02 1n02 s ASN 93 CO 0.07 -0.67 0.69 -0.69 -3.72 0.00 0.00 177.10 172.78 1n02 s VAL 94 N 1.27 5.20 -1.37 -5.21 1.01 0.13 -4.50 120.40 116.94 1n02 s VAL 94 Ca 0.07 -1.70 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 1n02 s VAL 94 Cb -0.25 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.70 1n02 s VAL 94 CO -0.01 -1.04 0.39 -0.67 0.00 0.00 0.00 175.10 173.76 1n02 n ASP 95 N 5.22 -4.73 0.00 3.32 2.03 -1.26 -1.81 116.55 119.32 1n02 n ASP 95 Ca -0.00 -0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1n02 n ASP 95 Cb 0.44 -3.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.94 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 -1.20 1.29 2.82 0.27 0.00 -1.25 -4.67 105.19 102.44 1n02 n GLY 96 Ca -0.09 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1n02 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n02 s SER 97 N -2.38 0.07 -0.14 1.61 0.15 -0.75 -4.50 113.70 107.75 1n02 s SER 97 Ca 0.00 0.02 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 1n02 s SER 97 Cb 0.00 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1n02 s SER 97 CO 0.00 -0.07 1.34 -0.76 1.20 0.00 0.00 173.24 174.95 1n02 s LEU 98 N 0.61 4.21 -0.07 3.45 1.43 -1.25 0.19 118.68 127.26 1n02 s LEU 98 Ca -0.05 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1n02 s LEU 98 Cb -0.08 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.61 1n02 s LEU 98 CO -0.02 -0.79 -0.18 -0.54 0.23 0.00 0.00 176.35 175.05 1n02 s LYS 99 N 3.59 2.22 0.09 1.70 1.02 0.76 -4.79 119.74 124.33 1n02 s LYS 99 Ca 0.59 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.94 1n02 s LYS 99 Cb -0.24 -1.77 -0.25 0.00 -0.52 0.00 0.00 37.83 35.05 1n02 s LYS 99 CO 0.18 0.12 1.19 -0.92 -0.92 0.00 0.00 175.35 175.00 1n02 h TYR 100 N 6.74 0.36 -0.03 3.18 5.03 -1.88 1.16 116.97 131.54 1n02 h TYR 100 Ca -0.27 -0.26 0.00 0.00 2.58 0.00 0.00 58.73 60.78 1n02 h TYR 100 Cb 1.20 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.47 1n02 h TYR 100 CO 0.47 1.20 0.00 0.39 -1.32 0.00 0.00 178.16 178.90