#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj0 n ALA 2 N 0.00 0.00 -2.47 3.04 0.00 -1.26 -5.09 120.51 114.72 2aj0 n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2aj0 n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2aj0 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2aj0 s GLU 3 N 0.93 1.72 -0.22 0.00 2.12 -0.22 -5.02 118.70 118.02 2aj0 s GLU 3 Ca 0.00 -1.22 -0.15 0.00 0.36 0.00 0.00 54.97 53.96 2aj0 s GLU 3 Cb 0.00 -2.07 0.06 0.00 0.26 0.00 0.00 34.13 32.38 2aj0 s GLU 3 CO 0.00 0.47 0.54 -1.59 -0.54 0.00 0.00 175.26 174.14 2aj0 s LYS 4 N -2.17 0.57 0.04 4.30 -2.85 -1.26 -0.59 119.74 117.77 2aj0 s LYS 4 Ca 0.18 0.91 -0.22 0.00 -1.00 0.00 0.00 55.97 55.84 2aj0 s LYS 4 Cb -0.10 0.14 0.05 0.00 -2.06 0.00 0.00 37.83 35.86 2aj0 s LYS 4 CO 0.10 -0.13 0.52 0.99 0.10 0.00 0.00 175.35 176.92 2aj0 s THR 5 N 1.10 0.03 0.02 3.79 2.01 -0.14 -5.00 115.64 117.46 2aj0 s THR 5 Ca -0.06 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2aj0 s THR 5 Cb -0.06 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 2aj0 s THR 5 CO -0.10 -0.14 -0.14 0.54 -0.69 0.00 0.00 174.62 174.09 2aj0 s VAL 6 N -2.31 1.14 0.06 3.82 0.11 -1.26 -0.58 120.40 121.39 2aj0 s VAL 6 Ca -0.06 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.22 2aj0 s VAL 6 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2aj0 s VAL 6 CO -0.01 0.15 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.44 2aj0 s TYR 7 N -0.62 1.45 -0.04 1.54 2.02 -0.17 -4.56 117.35 116.97 2aj0 s TYR 7 Ca 0.04 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.12 2aj0 s TYR 7 Cb -0.07 -0.83 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 2aj0 s TYR 7 CO 0.00 0.09 0.60 1.03 -1.57 0.00 0.00 175.55 175.71 2aj0 s ARG 8 N -1.50 4.35 0.08 -0.62 0.52 -0.01 -0.62 118.95 121.15 2aj0 s ARG 8 Ca 0.03 0.72 0.05 0.00 -0.52 0.00 0.00 55.73 56.01 2aj0 s ARG 8 Cb -0.09 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2aj0 s ARG 8 CO 0.02 0.25 -0.02 0.54 0.02 0.00 0.00 175.30 176.11 2aj0 s VAL 9 N 0.22 3.88 0.10 3.52 0.11 -1.19 -0.37 120.40 126.67 2aj0 s VAL 9 Ca 0.32 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 58.30 2aj0 s VAL 9 Cb -0.18 -2.82 -0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2aj0 s VAL 9 CO 0.16 0.17 0.21 -1.81 -3.33 0.00 0.00 175.10 170.50 2aj0 s ASP 10 N -2.14 0.10 0.00 3.54 1.01 -1.07 -3.82 116.67 114.28 2aj0 s ASP 10 Ca 0.24 -0.67 0.00 0.00 0.71 0.00 0.00 52.55 52.82 2aj0 s ASP 10 Cb -0.12 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.17 2aj0 s ASP 10 CO 0.16 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.39 2aj0 n GLY 11 N -0.09 1.37 3.79 0.21 0.00 -1.26 -3.84 105.19 105.36 2aj0 n GLY 11 Ca -0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 -0.07 -0.37 0.99 0.05 -1.26 -4.96 118.68 112.98 2aj0 s LEU 12 Ca 0.00 -0.78 0.05 0.00 0.05 0.00 0.00 54.13 53.45 2aj0 s LEU 12 Cb 0.00 2.51 0.32 0.00 -2.05 0.00 0.00 46.19 46.98 2aj0 s LEU 12 CO 0.00 -1.35 1.30 -0.24 -0.55 0.00 0.00 176.35 175.51 2aj0 n SER 13 N -0.61 -1.61 -3.68 1.48 2.88 -1.26 -4.20 113.62 106.62 2aj0 n SER 13 Ca -0.04 -2.48 -0.17 0.00 -1.33 0.00 0.00 58.87 54.85 2aj0 n SER 13 Cb 0.60 1.41 -0.16 0.00 -0.75 0.00 0.00 64.21 65.31 2aj0 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aj0 h THR 15 N 6.34 0.57 -0.69 0.00 2.02 -1.95 0.45 112.91 119.65 2aj0 h THR 15 Ca -0.18 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.10 2aj0 h THR 15 Cb 1.12 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 2aj0 h THR 15 CO 0.19 0.00 0.32 0.78 0.37 0.00 0.00 175.52 177.18 2aj0 h ASN 16 N -0.01 0.39 -0.23 4.18 4.21 -1.98 0.14 115.58 122.27 2aj0 h ASN 16 Ca 0.20 0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.75 2aj0 h ASN 16 Cb 0.31 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 2aj0 h ASN 16 CO -0.43 0.22 0.05 0.00 -1.29 0.00 0.00 177.43 175.97 2aj0 h ALA 18 N 0.86 0.59 -0.05 0.00 0.00 -0.20 0.16 119.26 120.62 2aj0 h ALA 18 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2aj0 h ALA 18 Cb 0.30 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2aj0 h ALA 18 CO 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 179.25 179.00 2aj0 h ALA 19 N 1.34 0.06 -0.52 0.00 0.00 -0.55 0.86 119.26 120.46 2aj0 h ALA 19 Ca 0.24 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2aj0 h ALA 19 Cb 0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2aj0 h ALA 19 CO -0.26 -0.24 0.06 -0.22 0.00 0.00 0.00 179.25 178.58 2aj0 h LYS 20 N -0.25 0.18 0.16 0.00 3.64 -0.71 -0.31 116.57 119.28 2aj0 h LYS 20 Ca 0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2aj0 h LYS 20 Cb 0.38 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2aj0 h LYS 20 CO 0.00 0.12 -0.42 0.74 -2.27 0.00 0.00 179.45 177.63 2aj0 h PHE 21 N 0.18 -1.16 -0.62 1.91 0.04 -0.34 0.17 116.94 117.11 2aj0 h PHE 21 Ca 0.26 0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.12 2aj0 h PHE 21 Cb 0.39 0.49 -0.05 0.00 2.20 0.00 0.00 35.95 38.97 2aj0 h PHE 21 CO -0.27 -0.52 0.33 1.05 -0.60 0.00 0.00 178.31 178.30 2aj0 h GLU 22 N -0.68 0.60 0.38 1.51 4.11 -0.14 0.61 114.58 120.98 2aj0 h GLU 22 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2aj0 h GLU 22 Cb 0.69 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2aj0 h GLU 22 CO -0.21 0.40 -0.19 -0.09 0.07 0.00 0.00 179.01 178.98 2aj0 h ARG 23 N 0.62 -0.51 -0.77 1.06 2.43 -0.90 0.43 114.38 116.74 2aj0 h ARG 23 Ca 0.28 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.65 2aj0 h ARG 23 Cb 0.19 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 29.71 2aj0 h ARG 23 CO -0.19 -0.34 -0.12 -0.91 -1.51 0.00 0.00 179.97 176.90 2aj0 h ASN 24 N -0.53 -0.60 0.22 -3.80 4.21 0.27 0.31 115.58 115.67 2aj0 h ASN 24 Ca -0.05 0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 2aj0 h ASN 24 Cb 0.41 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2aj0 h ASN 24 CO 0.08 -0.24 -0.11 0.58 -1.29 0.00 0.00 177.43 176.46 2aj0 h VAL 25 N 0.03 0.79 -0.74 2.81 2.07 -0.58 -2.64 116.25 117.98 2aj0 h VAL 25 Ca 0.39 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 68.06 2aj0 h VAL 25 Cb 0.64 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2aj0 h VAL 25 CO -0.76 0.01 0.52 0.11 0.02 0.00 0.00 177.57 177.46 2aj0 h LYS 26 N -0.32 0.16 0.00 1.57 1.57 0.15 0.12 116.57 119.82 2aj0 h LYS 26 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2aj0 h LYS 26 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2aj0 h LYS 26 CO 0.05 0.11 0.00 0.93 -0.57 0.00 0.00 179.45 179.97 2aj0 h GLU 27 N 0.17 0.00 -6.29 3.15 5.08 -0.14 -3.43 114.58 113.12 2aj0 h GLU 27 Ca 0.36 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.16 2aj0 h GLU 27 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2aj0 h GLU 27 CO -0.06 0.00 1.05 0.42 -1.00 0.00 0.00 179.01 179.42 2aj0 s ILE 28 N -3.36 3.89 -0.70 3.13 1.01 0.40 -4.93 121.20 120.64 2aj0 s ILE 28 Ca 0.04 1.02 -0.26 0.00 0.00 0.00 0.00 60.65 61.45 2aj0 s ILE 28 Cb 0.09 -3.86 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 2aj0 s ILE 28 CO 0.42 -0.31 2.15 -1.61 0.00 0.00 0.00 174.94 175.59 2aj0 s GLU 29 N 4.34 2.23 0.00 2.79 0.41 -1.26 -2.54 118.70 124.66 2aj0 s GLU 29 Ca 0.65 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.76 2aj0 s GLU 29 Cb -0.23 -4.70 0.00 0.00 -1.78 0.00 0.00 34.13 27.42 2aj0 s GLU 29 CO 0.26 -3.45 0.00 0.41 -0.49 0.00 0.00 175.26 171.99 2aj0 n GLY 30 N 6.33 2.24 3.84 -1.39 0.00 -1.26 -5.07 105.19 109.88 2aj0 n GLY 30 Ca 0.36 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2aj0 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aj0 s VAL 31 N 0.00 4.52 -0.06 1.61 0.11 -1.05 -2.33 120.40 123.19 2aj0 s VAL 31 Ca 0.00 1.15 -0.09 0.00 -2.93 0.00 0.00 61.98 60.11 2aj0 s VAL 31 Cb 0.00 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2aj0 s VAL 31 CO 0.00 -0.74 -0.19 0.41 -3.33 0.00 0.00 175.10 171.25 2aj0 n THR 32 N -1.77 1.29 -4.38 5.04 -1.04 0.35 -4.85 114.28 108.92 2aj0 n THR 32 Ca 0.07 0.20 -0.22 0.00 -2.04 0.00 0.00 64.05 62.06 2aj0 n THR 32 Cb 0.54 -1.95 -0.11 0.00 -1.82 0.00 0.00 70.33 66.99 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 -2.45 1.42 -0.11 -2.82 2.02 0.12 -4.99 118.70 111.89 2aj0 s GLU 33 Ca -0.16 -1.56 -0.08 0.00 0.02 0.00 0.00 54.97 53.19 2aj0 s GLU 33 Cb 0.03 -1.43 0.04 0.00 0.10 0.00 0.00 34.13 32.87 2aj0 s GLU 33 CO 0.23 0.27 0.27 0.00 0.02 0.00 0.00 175.26 176.06 2aj0 s ALA 34 N -2.40 -0.65 -0.30 5.21 0.00 -1.26 0.19 121.76 122.54 2aj0 s ALA 34 Ca 0.22 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2aj0 s ALA 34 Cb -0.04 -0.56 0.09 0.00 0.00 0.00 0.00 23.12 22.60 2aj0 s ALA 34 CO 0.09 -0.17 0.04 0.42 0.00 0.00 0.00 175.76 176.14 2aj0 s ILE 35 N 0.72 1.69 -0.09 0.00 1.01 0.20 -4.98 121.20 119.74 2aj0 s ILE 35 Ca -0.05 -1.79 0.03 0.00 0.00 0.00 0.00 60.65 58.85 2aj0 s ILE 35 Cb -0.06 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 2aj0 s ILE 35 CO -0.04 -0.49 -0.19 0.68 0.00 0.00 0.00 174.94 174.89 2aj0 s VAL 36 N 1.23 2.54 -0.20 2.92 -7.23 -1.26 -0.70 120.40 117.70 2aj0 s VAL 36 Ca 0.06 -0.87 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 2aj0 s VAL 36 Cb -0.18 -2.00 -0.13 0.00 0.56 0.00 0.00 36.38 34.63 2aj0 s VAL 36 CO -0.13 0.56 -0.01 0.59 -0.31 0.00 0.00 175.10 175.80 2aj0 n ASN 37 N 3.17 1.86 -3.82 4.85 3.02 -0.15 -4.99 115.26 119.20 2aj0 n ASN 37 Ca -0.18 0.46 -0.35 0.00 -0.03 0.00 0.00 54.58 54.48 2aj0 n ASN 37 Cb 0.52 -0.91 0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2aj0 n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2aj0 n PHE 38 N -4.46 -1.73 -2.70 3.10 3.72 -1.25 -4.83 117.46 109.32 2aj0 n PHE 38 Ca -0.27 0.38 -0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2aj0 n PHE 38 Cb 0.59 -3.28 0.06 0.00 -0.94 0.00 0.00 39.48 35.90 2aj0 n PHE 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aj0 n GLY 39 N -1.84 -1.17 3.09 1.37 0.00 -1.26 -4.32 105.19 101.06 2aj0 n GLY 39 Ca -0.12 0.76 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 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 1.73 -1.80 -2.03 4.61 0.00 -1.26 -4.93 120.51 116.83 2aj0 n ALA 40 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2aj0 n ALA 40 Cb 0.67 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -2.86 0.00 -3.77 0.00 7.64 -1.25 -5.09 113.62 108.29 2aj0 n SER 41 Ca -0.23 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.56 2aj0 n SER 41 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 3.14 1.47 -0.16 1.43 -2.85 -1.26 -3.20 119.74 118.30 2aj0 s LYS 42 Ca 0.00 -0.90 -0.00 0.00 -1.00 0.00 0.00 55.97 54.06 2aj0 s LYS 42 Cb 0.00 0.54 0.04 0.00 -2.06 0.00 0.00 37.83 36.35 2aj0 s LYS 42 CO 0.00 -0.63 -0.07 -1.50 0.10 0.00 0.00 175.35 173.25 2aj0 s ILE 43 N -3.89 1.20 -0.09 3.79 -1.16 0.21 -0.98 121.20 120.27 2aj0 s ILE 43 Ca 0.10 -0.65 -0.11 0.00 -0.51 0.00 0.00 60.65 59.49 2aj0 s ILE 43 Cb -0.02 -1.33 -0.05 0.00 0.61 0.00 0.00 42.46 41.67 2aj0 s ILE 43 CO -0.00 0.18 0.26 -0.89 -2.81 0.00 0.00 174.94 171.67 2aj0 s THR 44 N 1.60 5.31 0.04 4.00 2.01 0.12 -1.00 115.64 127.72 2aj0 s THR 44 Ca 0.01 0.48 0.09 0.00 0.31 0.00 0.00 61.69 62.57 2aj0 s THR 44 Cb -0.15 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2aj0 s THR 44 CO -0.08 0.55 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.46 2aj0 s VAL 45 N -0.67 2.01 -0.10 3.82 1.01 0.26 -0.63 120.40 126.10 2aj0 s VAL 45 Ca 0.18 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 2aj0 s VAL 45 Cb -0.14 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.57 2aj0 s VAL 45 CO 0.07 0.35 0.23 -0.89 0.00 0.00 0.00 175.10 174.86 2aj0 s THR 46 N -0.78 -0.04 0.00 3.92 2.01 0.13 -0.96 115.64 119.92 2aj0 s THR 46 Ca 0.11 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2aj0 s THR 46 Cb -0.10 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2aj0 s THR 46 CO 0.02 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2aj0 n GLY 47 N 4.14 0.11 2.71 4.40 0.00 0.24 0.12 105.19 116.90 2aj0 n GLY 47 Ca -0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 0.88 -4.03 1.61 2.13 -0.98 -1.06 120.64 119.19 2aj0 n GLU 48 Ca 0.00 -1.65 -0.09 0.00 0.66 0.00 0.00 57.16 56.08 2aj0 n GLU 48 Cb 0.00 -0.60 -0.08 0.00 0.27 0.00 0.00 31.44 31.03 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 0.20 0.33 0.20 4.31 0.00 -1.26 -4.48 121.76 121.06 2aj0 s ALA 49 Ca 0.21 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2aj0 s ALA 49 Cb 0.30 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 2aj0 s ALA 49 CO -0.08 -0.55 -0.04 -1.12 0.00 0.00 0.00 175.76 173.97 2aj0 s SER 50 N -2.98 1.82 0.24 0.00 0.01 -1.26 -4.86 113.70 106.68 2aj0 s SER 50 Ca 0.17 -1.14 -0.09 0.00 1.31 0.00 0.00 55.95 56.20 2aj0 s SER 50 Cb 0.05 0.00 0.38 0.00 0.21 0.00 0.00 66.02 66.66 2aj0 s SER 50 CO -0.02 -0.44 1.62 -0.29 0.41 0.00 0.00 173.24 174.53 2aj0 h ILE 51 N 2.59 0.30 -0.55 1.44 -0.00 -1.99 -2.21 117.51 117.09 2aj0 h ILE 51 Ca -0.38 -0.02 0.10 0.00 -0.00 0.00 0.00 64.86 64.57 2aj0 h ILE 51 Cb 1.21 0.25 -0.10 0.00 -0.00 0.00 0.00 36.82 38.18 2aj0 h ILE 51 CO 0.64 0.01 -0.15 0.00 -0.00 0.00 0.00 178.15 178.65 2aj0 n GLN 52 N -5.41 -0.07 -0.11 2.19 1.13 -1.26 0.80 117.38 114.65 2aj0 n GLN 52 Ca 0.12 0.85 -0.11 0.00 -1.94 0.00 0.00 57.00 55.93 2aj0 n GLN 52 Cb 0.43 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.48 2aj0 n GLN 52 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2aj0 h GLN 53 N 0.00 0.58 -0.21 -1.09 4.20 -1.83 -1.18 115.11 115.58 2aj0 h GLN 53 Ca 0.25 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2aj0 h GLN 53 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2aj0 h GLN 53 CO -0.56 0.71 -0.18 0.28 -0.67 0.00 0.00 178.83 178.40 2aj0 h VAL 54 N 0.39 1.23 0.38 -0.54 2.07 0.30 -2.36 116.25 117.72 2aj0 h VAL 54 Ca 0.09 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2aj0 h VAL 54 Cb 0.44 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2aj0 h VAL 54 CO 0.02 0.33 -0.28 -0.08 0.02 0.00 0.00 177.57 177.58 2aj0 h GLU 55 N 0.34 -0.63 -0.67 1.57 4.22 0.47 0.15 114.58 120.03 2aj0 h GLU 55 Ca 0.06 0.04 0.13 0.00 0.08 0.00 0.00 59.36 59.67 2aj0 h GLU 55 Cb 0.52 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.83 2aj0 h GLU 55 CO 0.03 -0.42 0.20 0.37 -2.18 0.00 0.00 179.01 177.02 2aj0 h GLN 56 N -0.65 0.33 0.18 1.92 -0.00 -1.03 0.21 115.11 116.06 2aj0 h GLN 56 Ca -0.03 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.60 2aj0 h GLN 56 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.95 2aj0 h GLN 56 CO 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 178.83 178.83 2aj0 h ALA 57 N 1.51 -0.43 -0.03 3.38 0.00 -1.06 -2.69 119.26 119.95 2aj0 h ALA 57 Ca 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2aj0 h ALA 57 Cb 0.54 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2aj0 h ALA 57 CO -0.41 -0.77 0.26 0.78 0.00 0.00 0.00 179.25 179.11 2aj0 h GLY 58 N -0.46 0.00 0.35 0.00 0.00 0.22 -0.90 103.07 102.30 2aj0 h GLY 58 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.43 2aj0 h GLY 58 CO -0.08 0.00 0.73 0.00 0.00 0.00 0.00 176.54 177.19 2aj0 h ALA 59 N 1.50 2.05 -0.69 3.60 0.00 -0.59 0.30 119.26 125.44 2aj0 h ALA 59 Ca 0.01 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2aj0 h ALA 59 Cb 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2aj0 h ALA 59 CO -0.00 -0.90 0.48 0.27 0.00 0.00 0.00 179.25 179.10 2aj0 h PHE 60 N 0.00 0.19 0.00 0.00 -5.15 -1.37 -3.24 116.94 107.37 2aj0 h PHE 60 Ca 0.16 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 2aj0 h PHE 60 Cb 1.62 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.73 2aj0 h PHE 60 CO 0.00 0.07 -0.05 -1.91 -2.00 0.00 0.00 178.31 174.42 2aj0 n GLU 61 N -4.40 3.86 -1.97 6.09 2.13 0.47 -5.08 120.64 121.74 2aj0 n GLU 61 Ca 0.13 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.91 2aj0 n GLU 61 Cb 0.65 -0.33 0.02 0.00 0.27 0.00 0.00 31.44 32.05 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 -0.59 -0.68 -2.11 4.31 8.25 0.77 -5.06 115.22 120.11 2aj0 n HIS 62 Ca 0.00 0.24 -0.25 0.00 -0.26 0.00 0.00 57.72 57.45 2aj0 n HIS 62 Cb 0.00 -2.90 0.16 0.00 1.12 0.00 0.00 29.99 28.37 2aj0 n HIS 62 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2aj0 n LEU 63 N -1.92 0.00 -3.70 2.41 7.99 -1.24 -5.00 117.00 115.54 2aj0 n LEU 63 Ca -0.02 -1.57 -0.27 0.00 -0.01 0.00 0.00 56.01 54.15 2aj0 n LEU 63 Cb 0.53 -0.82 -0.17 0.00 -0.11 0.00 0.00 43.42 42.85 2aj0 n LEU 63 CO 0.16 -1.23 -0.36 -1.59 -1.51 0.00 0.00 177.39 172.86 2aj0 s LYS 64 N -5.42 0.47 -0.07 3.23 0.00 -1.25 -4.99 119.74 111.71 2aj0 s LYS 64 Ca 0.67 -0.31 0.04 0.00 0.00 0.00 0.00 55.97 56.37 2aj0 s LYS 64 Cb -0.02 -2.01 -0.02 0.00 0.00 0.00 0.00 37.83 35.78 2aj0 s LYS 64 CO 0.46 -0.64 -0.20 0.42 0.00 0.00 0.00 175.35 175.39 2aj0 s ILE 65 N 1.94 2.55 -0.02 3.79 1.01 -1.26 -2.59 121.20 126.62 2aj0 s ILE 65 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.79 2aj0 s ILE 65 Cb -0.17 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 2aj0 s ILE 65 CO -0.08 0.57 -0.09 -0.63 0.00 0.00 0.00 174.94 174.70 2aj0 s ILE 66 N -0.23 0.79 -0.92 2.92 1.01 0.50 -4.95 121.20 120.32 2aj0 s ILE 66 Ca -0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2aj0 s ILE 66 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2aj0 s ILE 66 CO 0.03 0.24 1.90 -2.16 0.00 0.00 0.00 174.94 174.95 2aj0 s PRO 67 N 0.06 2.66 -0.88 2.79 0.04 -1.26 -0.83 135.00 137.57 2aj0 s PRO 67 Ca -0.01 -0.39 -0.23 0.00 0.04 0.00 0.00 61.00 60.41 2aj0 s PRO 67 Cb -0.07 -5.10 -0.19 0.00 0.04 0.00 0.00 34.50 29.19 2aj0 s PRO 67 CO 0.00 -3.27 2.14 -1.91 0.04 0.00 0.00 177.00 174.00 2aj0 n GLU 68 N 8.85 0.26 -3.30 4.56 2.13 -1.26 -4.81 120.64 127.06 2aj0 n GLU 68 Ca 0.40 -1.13 -0.07 0.00 0.66 0.00 0.00 57.16 57.01 2aj0 n GLU 68 Cb 0.47 -3.42 -0.06 0.00 0.27 0.00 0.00 31.44 28.71 2aj0 n GLU 68 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2aj0 s LYS 69 N 8.31 0.42 -0.71 5.31 2.36 -1.26 -4.98 119.74 129.18 2aj0 s LYS 69 Ca 0.83 0.29 -0.03 0.00 -2.55 0.00 0.00 55.97 54.51 2aj0 s LYS 69 Cb -0.13 -0.26 0.00 0.00 -1.05 0.00 0.00 37.83 36.39 2aj0 s LYS 69 CO 0.16 -0.93 0.67 0.39 1.55 0.00 0.00 175.35 177.19 2aj0 n GLU 70 N 5.36 -1.50 0.00 4.03 1.02 -1.26 -5.28 120.64 123.01 2aj0 n GLU 70 Ca -0.00 1.45 0.00 0.00 -0.02 0.00 0.00 57.16 58.59 2aj0 n GLU 70 Cb 0.50 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31