#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj0 s ALA 2 N 0.00 1.62 -0.30 3.04 0.00 -1.26 -5.00 121.76 119.87 2aj0 s ALA 2 Ca 0.00 0.39 0.20 0.00 0.00 0.00 0.00 51.96 52.55 2aj0 s ALA 2 Cb 0.00 -3.36 0.48 0.00 0.00 0.00 0.00 23.12 20.24 2aj0 s ALA 2 CO 0.00 -2.46 1.02 -0.85 0.00 0.00 0.00 175.76 173.47 2aj0 n GLU 3 N -4.01 1.37 -4.33 0.00 0.00 -1.26 -5.07 120.64 107.33 2aj0 n GLU 3 Ca 0.10 -3.31 -0.23 0.00 0.00 0.00 0.00 57.16 53.72 2aj0 n GLU 3 Cb 0.53 -1.35 -0.13 0.00 0.00 0.00 0.00 31.44 30.49 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2aj0 s LYS 4 N -3.31 1.11 -0.01 3.44 -2.85 -1.26 -2.03 119.74 114.84 2aj0 s LYS 4 Ca 0.27 -1.07 -0.13 0.00 -1.00 0.00 0.00 55.97 54.04 2aj0 s LYS 4 Cb 0.41 -1.30 0.02 0.00 -2.06 0.00 0.00 37.83 34.90 2aj0 s LYS 4 CO 0.01 0.31 0.26 0.99 0.10 0.00 0.00 175.35 177.02 2aj0 s THR 5 N -1.10 0.06 -0.01 3.79 2.01 -0.03 -5.00 115.64 115.37 2aj0 s THR 5 Ca 0.05 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2aj0 s THR 5 Cb -0.10 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 2aj0 s THR 5 CO 0.03 -0.29 -0.13 0.54 -0.69 0.00 0.00 174.62 174.08 2aj0 s VAL 6 N -1.36 1.05 0.10 3.82 0.11 -1.26 -0.52 120.40 122.33 2aj0 s VAL 6 Ca -0.14 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.42 2aj0 s VAL 6 Cb -0.06 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2aj0 s VAL 6 CO 0.03 0.29 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.55 2aj0 s TYR 7 N -0.33 2.00 0.39 1.54 1.51 -0.39 -4.02 117.35 118.05 2aj0 s TYR 7 Ca 0.05 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.54 2aj0 s TYR 7 Cb -0.05 -1.12 -0.10 0.00 -0.11 0.00 0.00 41.96 40.58 2aj0 s TYR 7 CO -0.00 0.22 0.85 1.03 -1.11 0.00 0.00 175.55 176.54 2aj0 s ARG 8 N -1.78 4.09 0.01 -0.62 3.00 0.06 -0.61 118.95 123.10 2aj0 s ARG 8 Ca 0.09 0.87 -0.01 0.00 0.00 0.00 0.00 55.73 56.69 2aj0 s ARG 8 Cb -0.10 -2.30 -0.01 0.00 0.00 0.00 0.00 34.95 32.54 2aj0 s ARG 8 CO 0.04 0.04 0.00 0.54 0.00 0.00 0.00 175.30 175.92 2aj0 s VAL 9 N -2.13 0.07 0.16 3.52 0.11 -1.03 -0.61 120.40 120.49 2aj0 s VAL 9 Ca 0.58 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2aj0 s VAL 9 Cb -0.10 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2aj0 s VAL 9 CO 0.17 -0.33 0.08 -1.81 -3.33 0.00 0.00 175.10 169.88 2aj0 s ASP 10 N -0.98 0.36 0.00 3.54 1.01 -1.26 -3.30 116.67 116.04 2aj0 s ASP 10 Ca -0.11 -1.28 0.00 0.00 0.71 0.00 0.00 52.55 51.88 2aj0 s ASP 10 Cb -0.07 0.31 0.00 0.00 1.01 0.00 0.00 42.92 44.17 2aj0 s ASP 10 CO -0.00 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.23 2aj0 n GLY 11 N -0.18 2.39 3.76 0.21 0.00 -1.26 -4.03 105.19 106.08 2aj0 n GLY 11 Ca -0.03 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 2aj0 n GLY 11 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aj0 s LEU 12 N 0.00 3.20 -0.41 0.99 0.05 -1.26 -5.02 118.68 116.24 2aj0 s LEU 12 Ca 0.00 1.96 0.09 0.00 0.05 0.00 0.00 54.13 56.23 2aj0 s LEU 12 Cb 0.00 -4.54 0.32 0.00 -2.05 0.00 0.00 46.19 39.92 2aj0 s LEU 12 CO 0.00 -1.93 0.82 -1.54 -0.55 0.00 0.00 176.35 173.15 2aj0 n SER 13 N -3.02 -0.39 -3.65 1.48 3.41 -1.26 -3.68 113.62 106.51 2aj0 n SER 13 Ca 0.10 -3.17 -0.03 0.00 -0.26 0.00 0.00 58.87 55.51 2aj0 n SER 13 Cb 0.52 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 2aj0 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aj0 h THR 15 N 5.69 0.49 -0.76 0.00 2.02 -1.99 0.19 112.91 118.54 2aj0 h THR 15 Ca -0.22 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 66.93 2aj0 h THR 15 Cb 1.14 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2aj0 h THR 15 CO 0.12 0.05 0.50 0.78 0.37 0.00 0.00 175.52 177.34 2aj0 h ASN 16 N 0.30 0.70 -0.33 4.18 4.21 -1.98 0.11 115.58 122.76 2aj0 h ASN 16 Ca 0.46 0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.82 2aj0 h ASN 16 Cb 0.81 -0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 2aj0 h ASN 16 CO -0.53 0.44 -0.38 0.00 -1.29 0.00 0.00 177.43 175.67 2aj0 h ALA 18 N 0.73 0.47 0.11 0.00 0.00 -0.62 0.97 119.26 120.92 2aj0 h ALA 18 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2aj0 h ALA 18 Cb 0.98 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2aj0 h ALA 18 CO 0.09 -0.31 -0.14 0.00 0.00 0.00 0.00 179.25 178.90 2aj0 h ALA 19 N 1.32 -0.25 -0.36 0.00 0.00 -0.63 0.56 119.26 119.90 2aj0 h ALA 19 Ca 0.21 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2aj0 h ALA 19 Cb 0.25 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 2aj0 h ALA 19 CO -0.27 -0.66 -0.22 -0.22 0.00 0.00 0.00 179.25 177.88 2aj0 h LYS 20 N -0.29 -0.16 0.18 0.00 1.63 -0.78 -1.45 116.57 115.71 2aj0 h LYS 20 Ca 0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2aj0 h LYS 20 Cb 0.29 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 2aj0 h LYS 20 CO -0.06 -0.10 -0.42 0.74 -3.45 0.00 0.00 179.45 176.16 2aj0 h PHE 21 N -0.16 -1.20 -0.95 1.91 0.04 -0.27 -0.42 116.94 115.89 2aj0 h PHE 21 Ca 0.18 0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.03 2aj0 h PHE 21 Cb 0.44 0.50 -0.06 0.00 2.20 0.00 0.00 35.95 39.03 2aj0 h PHE 21 CO -0.43 -0.49 0.61 1.05 -0.60 0.00 0.00 178.31 178.44 2aj0 h GLU 22 N -0.66 1.10 0.03 1.51 4.11 -0.61 0.98 114.58 121.04 2aj0 h GLU 22 Ca -0.02 -0.07 0.03 0.00 0.07 0.00 0.00 59.36 59.38 2aj0 h GLU 22 Cb 0.63 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2aj0 h GLU 22 CO -0.18 0.72 -0.35 0.00 0.07 0.00 0.00 179.01 179.27 2aj0 h ARG 23 N 1.13 -0.50 -0.81 1.06 3.08 -1.14 0.29 114.38 117.49 2aj0 h ARG 23 Ca 0.41 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.64 2aj0 h ARG 23 Cb 0.13 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.20 2aj0 h ARG 23 CO -0.16 -0.34 0.37 -0.97 -1.07 0.00 0.00 179.97 177.80 2aj0 h ASN 24 N -0.52 0.40 0.01 7.04 -0.73 0.74 0.46 115.58 122.97 2aj0 h ASN 24 Ca 0.05 0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2aj0 h ASN 24 Cb 0.60 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.24 2aj0 h ASN 24 CO -0.27 0.15 -0.00 0.58 -0.37 0.00 0.00 177.43 177.52 2aj0 h VAL 25 N 0.52 1.07 -0.18 2.57 2.07 -0.43 -2.89 116.25 118.99 2aj0 h VAL 25 Ca 0.45 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.79 2aj0 h VAL 25 Cb 0.67 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2aj0 h VAL 25 CO -0.39 0.06 0.15 0.11 0.02 0.00 0.00 177.57 177.52 2aj0 h LYS 26 N -0.11 0.00 0.00 1.57 1.57 0.14 0.16 116.57 119.90 2aj0 h LYS 26 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2aj0 h LYS 26 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2aj0 h LYS 26 CO 0.00 0.00 -0.11 0.93 -0.57 0.00 0.00 179.45 179.71 2aj0 h GLU 27 N 0.00 0.00 -6.63 3.15 5.08 -0.77 -3.43 114.58 111.98 2aj0 h GLU 27 Ca 0.08 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.92 2aj0 h GLU 27 Cb 0.39 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.67 2aj0 h GLU 27 CO -0.00 0.11 0.68 0.42 -1.00 0.00 0.00 179.01 179.22 2aj0 s ILE 28 N -3.84 3.24 0.20 3.13 1.01 0.55 -4.93 121.20 120.55 2aj0 s ILE 28 Ca -0.01 0.96 0.04 0.00 0.00 0.00 0.00 60.65 61.64 2aj0 s ILE 28 Cb 0.11 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 2aj0 s ILE 28 CO 0.57 0.12 1.46 -0.33 0.00 0.00 0.00 174.94 176.76 2aj0 h GLU 29 N 5.92 0.20 -0.65 2.79 5.08 -1.85 -3.26 114.58 122.81 2aj0 h GLU 29 Ca -0.44 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2aj0 h GLU 29 Cb 1.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2aj0 h GLU 29 CO 0.81 0.87 0.42 0.78 -1.00 0.00 0.00 179.01 180.89 2aj0 h GLY 30 N 1.72 0.92 -2.03 -3.84 0.00 -1.92 -3.44 103.07 94.48 2aj0 h GLY 30 Ca -0.03 -0.35 -0.49 0.00 0.00 0.00 0.00 47.33 46.46 2aj0 h GLY 30 CO 0.12 0.34 0.14 0.54 0.00 0.00 0.00 176.54 177.68 2aj0 s VAL 31 N -5.73 4.87 0.04 4.60 0.11 -1.23 0.05 120.40 123.11 2aj0 s VAL 31 Ca -0.10 0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.28 2aj0 s VAL 31 Cb 0.18 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2aj0 s VAL 31 CO 0.77 -0.83 -0.04 0.41 -3.33 0.00 0.00 175.10 172.09 2aj0 n THR 32 N -2.15 0.97 -4.49 5.04 -1.04 0.51 -4.80 114.28 108.32 2aj0 n THR 32 Ca 0.01 0.27 -0.22 0.00 -2.04 0.00 0.00 64.05 62.07 2aj0 n THR 32 Cb 0.55 -1.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.29 2aj0 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2aj0 s GLU 33 N -2.08 1.13 -0.03 -2.82 2.02 0.77 -4.99 118.70 112.70 2aj0 s GLU 33 Ca -0.03 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.15 2aj0 s GLU 33 Cb 0.01 -1.17 0.02 0.00 0.10 0.00 0.00 34.13 33.09 2aj0 s GLU 33 CO 0.05 0.30 -0.01 0.00 0.02 0.00 0.00 175.26 175.62 2aj0 s ALA 34 N -0.79 0.32 -0.81 5.21 0.00 -1.26 0.64 121.76 125.06 2aj0 s ALA 34 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2aj0 s ALA 34 Cb -0.08 -0.28 0.20 0.00 0.00 0.00 0.00 23.12 22.97 2aj0 s ALA 34 CO 0.01 -0.04 0.69 -0.89 0.00 0.00 0.00 175.76 175.53 2aj0 n ILE 35 N 3.94 2.48 -2.96 0.00 -0.00 0.30 -4.96 119.36 118.16 2aj0 n ILE 35 Ca -0.25 -5.05 -0.40 0.00 -0.00 0.00 0.00 62.75 57.05 2aj0 n ILE 35 Cb 0.52 -2.27 -0.05 0.00 -0.00 0.00 0.00 39.64 37.83 2aj0 n ILE 35 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 2aj0 s VAL 36 N -1.56 4.58 -0.42 1.39 -7.23 -1.26 -2.98 120.40 112.92 2aj0 s VAL 36 Ca 0.28 1.70 0.11 0.00 -1.81 0.00 0.00 61.98 62.25 2aj0 s VAL 36 Cb -0.04 -4.14 0.37 0.00 0.56 0.00 0.00 36.38 33.13 2aj0 s VAL 36 CO -0.13 0.42 0.84 0.59 -0.31 0.00 0.00 175.10 176.50 2aj0 n ASN 37 N 2.37 2.07 -4.75 4.85 3.02 0.12 -4.99 115.26 117.95 2aj0 n ASN 37 Ca -0.03 -3.19 -0.41 0.00 -0.03 0.00 0.00 54.58 50.92 2aj0 n ASN 37 Cb 0.50 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 2aj0 n ASN 37 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2aj0 s PHE 38 N -2.85 3.07 0.00 3.10 0.40 -1.22 -1.74 117.98 118.75 2aj0 s PHE 38 Ca 0.41 1.23 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 2aj0 s PHE 38 Cb 0.35 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2aj0 s PHE 38 CO -0.09 -2.17 0.00 0.41 0.70 0.00 0.00 175.22 174.07 2aj0 n GLY 39 N 1.62 1.88 2.66 4.36 0.00 -1.24 -4.71 105.19 109.76 2aj0 n GLY 39 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 2aj0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj0 n ALA 40 N 0.00 -2.37 -2.00 4.61 0.00 -1.26 -4.51 120.51 114.98 2aj0 n ALA 40 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2aj0 n ALA 40 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2aj0 n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aj0 n SER 41 N -0.19 0.00 -3.66 0.00 7.64 -1.21 -5.07 113.62 111.14 2aj0 n SER 41 Ca -0.19 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.61 2aj0 n SER 41 Cb 0.69 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 2aj0 n SER 41 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2aj0 s LYS 42 N 1.69 1.82 -0.14 1.43 0.00 -0.71 -2.48 119.74 121.36 2aj0 s LYS 42 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 55.97 54.71 2aj0 s LYS 42 Cb 0.00 0.56 0.05 0.00 0.00 0.00 0.00 37.83 38.44 2aj0 s LYS 42 CO 0.00 -0.81 0.08 -1.50 0.00 0.00 0.00 175.35 173.11 2aj0 s ILE 43 N -3.55 -0.02 -0.05 3.79 -1.16 0.22 0.14 121.20 120.58 2aj0 s ILE 43 Ca 0.17 -0.07 -0.16 0.00 -0.51 0.00 0.00 60.65 60.08 2aj0 s ILE 43 Cb -0.04 -0.53 -0.05 0.00 0.61 0.00 0.00 42.46 42.45 2aj0 s ILE 43 CO 0.10 -0.16 0.43 -0.89 -2.81 0.00 0.00 174.94 171.61 2aj0 s THR 44 N 2.11 5.08 0.01 4.00 2.01 -1.16 -1.26 115.64 126.44 2aj0 s THR 44 Ca 0.02 0.88 0.07 0.00 0.31 0.00 0.00 61.69 62.97 2aj0 s THR 44 Cb -0.15 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2aj0 s THR 44 CO -0.08 0.48 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.43 2aj0 s VAL 45 N -0.40 1.73 -0.11 3.82 1.01 0.32 -0.54 120.40 126.23 2aj0 s VAL 45 Ca 0.24 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2aj0 s VAL 45 Cb -0.16 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.78 2aj0 s VAL 45 CO 0.12 0.36 0.27 -0.89 0.00 0.00 0.00 175.10 174.96 2aj0 s THR 46 N -0.65 -0.01 0.00 3.92 2.01 0.21 -0.85 115.64 120.27 2aj0 s THR 46 Ca 0.08 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2aj0 s THR 46 Cb -0.09 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.03 2aj0 s THR 46 CO 0.00 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2aj0 n GLY 47 N 3.33 -0.12 2.70 4.40 0.00 -0.86 -0.17 105.19 114.48 2aj0 n GLY 47 Ca -0.16 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 2aj0 n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aj0 n GLU 48 N 0.00 0.81 -4.13 1.61 2.13 0.11 -4.84 120.64 116.32 2aj0 n GLU 48 Ca 0.00 -1.53 -0.11 0.00 0.66 0.00 0.00 57.16 56.17 2aj0 n GLU 48 Cb 0.00 -0.50 -0.08 0.00 0.27 0.00 0.00 31.44 31.13 2aj0 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aj0 s ALA 49 N 0.18 0.72 0.18 4.31 0.00 -1.23 -4.42 121.76 121.51 2aj0 s ALA 49 Ca 0.20 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.77 2aj0 s ALA 49 Cb 0.29 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.65 2aj0 s ALA 49 CO -0.09 -0.69 -0.11 -1.12 0.00 0.00 0.00 175.76 173.76 2aj0 s SER 50 N -3.12 2.10 0.44 0.00 0.01 -1.26 -4.87 113.70 107.00 2aj0 s SER 50 Ca 0.33 -1.04 0.18 0.00 1.31 0.00 0.00 55.95 56.74 2aj0 s SER 50 Cb 0.04 -0.06 1.13 0.00 0.21 0.00 0.00 66.02 67.34 2aj0 s SER 50 CO 0.12 -0.29 1.91 -0.29 0.41 0.00 0.00 173.24 175.09 2aj0 h ILE 51 N 2.66 0.74 -0.75 1.44 6.09 -1.99 -2.40 117.51 123.29 2aj0 h ILE 51 Ca -0.37 -0.12 0.18 0.00 -1.37 0.00 0.00 64.86 63.18 2aj0 h ILE 51 Cb 1.21 0.36 -0.14 0.00 0.47 0.00 0.00 36.82 38.72 2aj0 h ILE 51 CO 0.63 0.06 -0.08 0.00 -3.07 0.00 0.00 178.15 175.70 2aj0 n GLN 52 N -4.46 -0.06 0.02 2.19 6.02 -1.26 0.61 117.38 120.43 2aj0 n GLN 52 Ca 0.16 1.15 -0.12 0.00 -0.01 0.00 0.00 57.00 58.18 2aj0 n GLN 52 Cb 0.62 -1.78 -0.07 0.00 1.02 0.00 0.00 30.24 30.03 2aj0 n GLN 52 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2aj0 h GLN 53 N 0.00 0.03 -0.69 -1.09 1.08 -1.86 -0.05 115.11 112.54 2aj0 h GLN 53 Ca 0.41 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.56 2aj0 h GLN 53 Cb 0.76 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 2aj0 h GLN 53 CO -0.74 0.14 0.25 0.28 -0.95 0.00 0.00 178.83 177.81 2aj0 h VAL 54 N -0.08 1.24 -0.18 -0.54 2.07 0.02 -1.27 116.25 117.51 2aj0 h VAL 54 Ca 0.01 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2aj0 h VAL 54 Cb 0.12 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2aj0 h VAL 54 CO -0.00 0.31 -0.04 -0.08 0.02 0.00 0.00 177.57 177.78 2aj0 h GLU 55 N 1.00 0.35 -0.25 1.57 4.81 -0.05 0.24 114.58 122.25 2aj0 h GLU 55 Ca 0.23 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2aj0 h GLU 55 Cb 0.23 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 2aj0 h GLU 55 CO -0.02 0.61 -0.21 0.37 -0.73 0.00 0.00 179.01 179.03 2aj0 h GLN 56 N 0.06 -0.20 -0.38 1.92 4.15 -0.78 0.31 115.11 120.19 2aj0 h GLN 56 Ca 0.05 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.56 2aj0 h GLN 56 Cb 0.48 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.14 2aj0 h GLN 56 CO 0.02 -0.14 -0.17 0.00 -1.93 0.00 0.00 178.83 176.61 2aj0 h ALA 57 N 0.88 0.13 0.00 3.38 0.00 -1.02 -1.71 119.26 120.93 2aj0 h ALA 57 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2aj0 h ALA 57 Cb 0.43 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2aj0 h ALA 57 CO -0.37 -0.54 0.05 0.41 0.00 0.00 0.00 179.25 178.80 2aj0 n GLY 58 N -1.36 -0.75 0.46 0.00 0.00 0.83 -1.61 105.19 102.76 2aj0 n GLY 58 Ca 0.02 0.15 0.25 0.00 0.00 0.00 0.00 46.02 46.44 2aj0 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj0 h ALA 59 N 1.85 2.54 -0.85 4.61 0.00 -0.06 0.35 119.26 127.71 2aj0 h ALA 59 Ca 0.00 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.11 2aj0 h ALA 59 Cb 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2aj0 h ALA 59 CO 0.00 -1.15 0.59 0.27 0.00 0.00 0.00 179.25 178.96 2aj0 h PHE 60 N 0.00 0.16 0.00 0.00 -5.15 -1.52 -3.24 116.94 107.19 2aj0 h PHE 60 Ca 0.35 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.12 2aj0 h PHE 60 Cb 1.90 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 38.02 2aj0 h PHE 60 CO 0.00 0.04 0.00 -1.91 -2.00 0.00 0.00 178.31 174.44 2aj0 n GLU 61 N -4.35 1.20 -2.02 6.09 2.13 0.15 -5.08 120.64 118.75 2aj0 n GLU 61 Ca 0.18 -0.06 -0.04 0.00 0.66 0.00 0.00 57.16 57.89 2aj0 n GLU 61 Cb 0.84 -0.34 0.02 0.00 0.27 0.00 0.00 31.44 32.23 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2aj0 n HIS 62 N -0.19 -0.74 -1.87 4.31 8.25 0.10 -5.02 115.22 120.06 2aj0 n HIS 62 Ca 0.00 0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 57.41 2aj0 n HIS 62 Cb 0.07 -2.98 0.03 0.00 1.12 0.00 0.00 29.99 28.22 2aj0 n HIS 62 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2aj0 s LEU 63 N -3.71 3.09 -0.57 2.41 2.01 -1.23 -5.02 118.68 115.66 2aj0 s LEU 63 Ca 0.14 1.30 0.06 0.00 0.01 0.00 0.00 54.13 55.64 2aj0 s LEU 63 Cb -0.02 -4.25 0.23 0.00 0.01 0.00 0.00 46.19 42.17 2aj0 s LEU 63 CO 0.22 -1.07 0.62 2.29 1.01 0.00 0.00 176.35 179.43 2aj0 n LYS 64 N -2.86 1.78 -2.85 1.70 0.00 -1.26 -4.96 118.16 109.72 2aj0 n LYS 64 Ca 0.06 -4.16 -0.40 0.00 -0.00 0.00 0.00 58.31 53.81 2aj0 n LYS 64 Cb 0.55 -1.95 -0.05 0.00 -0.00 0.00 0.00 35.03 33.58 2aj0 n LYS 64 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2aj0 s ILE 65 N -1.80 4.55 -0.10 0.58 1.01 -1.26 -4.31 121.20 119.87 2aj0 s ILE 65 Ca 0.36 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.90 2aj0 s ILE 65 Cb 0.12 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.37 2aj0 s ILE 65 CO -0.07 0.37 -0.16 -0.63 0.00 0.00 0.00 174.94 174.44 2aj0 s ILE 66 N -0.22 1.54 -0.53 2.92 -1.09 0.22 -4.97 121.20 119.08 2aj0 s ILE 66 Ca 0.42 -0.69 -0.27 0.00 -2.23 0.00 0.00 60.65 57.88 2aj0 s ILE 66 Cb -0.22 -1.38 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 2aj0 s ILE 66 CO 0.27 0.45 1.78 -2.16 -1.23 0.00 0.00 174.94 174.05 2aj0 s PRO 67 N 0.78 2.90 0.11 2.79 0.04 -1.26 -0.76 135.00 139.59 2aj0 s PRO 67 Ca -0.11 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 2aj0 s PRO 67 Cb -0.16 -4.30 -0.10 0.00 0.04 0.00 0.00 34.50 29.98 2aj0 s PRO 67 CO 0.02 -2.39 1.62 1.49 0.04 0.00 0.00 177.00 177.78 2aj0 h GLU 68 N 13.89 -0.56 -6.37 4.56 4.22 -1.92 -3.38 114.58 125.02 2aj0 h GLU 68 Ca -0.28 0.04 -0.57 0.00 0.08 0.00 0.00 59.36 58.63 2aj0 h GLU 68 Cb 1.15 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2aj0 h GLU 68 CO 1.16 -0.38 1.08 0.15 -2.18 0.00 0.00 179.01 178.85 2aj0 s LYS 69 N -6.03 3.72 -0.02 1.92 -0.14 -1.26 -4.81 119.74 113.13 2aj0 s LYS 69 Ca -0.16 1.31 -0.04 0.00 -1.36 0.00 0.00 55.97 55.72 2aj0 s LYS 69 Cb 0.07 -4.00 -0.02 0.00 -1.68 0.00 0.00 37.83 32.19 2aj0 s LYS 69 CO 0.64 -1.38 -0.09 -1.91 -0.76 0.00 0.00 175.35 171.86 2aj0 n GLU 70 N 7.76 0.14 0.00 1.68 0.00 -1.26 -5.06 120.64 123.89 2aj0 n GLU 70 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.39 2aj0 n GLU 70 Cb 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 31.44 31.17 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13