#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 -0.43 -0.41 3.17 0.00 -1.26 -5.13 121.76 117.69 2aj0 s ALA 2 Ca 0.00 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 2aj0 s ALA 2 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2aj0 s ALA 2 CO 0.00 -0.54 0.85 -1.21 0.00 0.00 0.00 175.76 174.85 2aj0 s GLU 3 N 2.19 3.62 0.08 0.00 8.01 -1.26 -5.04 118.70 126.30 2aj0 s GLU 3 Ca -0.00 0.21 0.09 0.00 0.01 0.00 0.00 54.97 55.28 2aj0 s GLU 3 Cb -0.12 -3.87 -0.03 0.00 -4.31 0.00 0.00 34.13 25.80 2aj0 s GLU 3 CO -0.08 -1.04 -0.24 -1.59 0.01 0.00 0.00 175.26 172.32 2aj0 s LYS 4 N 3.40 1.44 0.06 1.61 0.00 -1.26 -1.36 119.74 123.64 2aj0 s LYS 4 Ca 0.34 -1.14 -0.18 0.00 0.00 0.00 0.00 55.97 54.99 2aj0 s LYS 4 Cb -0.12 -1.70 0.04 0.00 0.00 0.00 0.00 37.83 36.05 2aj0 s LYS 4 CO 0.21 0.42 0.42 0.99 0.00 0.00 0.00 175.35 177.39 2aj0 s THR 5 N -0.95 0.06 0.03 3.79 2.01 0.11 -4.99 115.64 115.71 2aj0 s THR 5 Ca 0.10 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2aj0 s THR 5 Cb -0.10 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 2aj0 s THR 5 CO 0.03 -0.26 -0.11 0.54 -0.69 0.00 0.00 174.62 174.14 2aj0 s VAL 6 N -2.81 0.84 0.04 3.82 0.11 -1.26 -0.29 120.40 120.85 2aj0 s VAL 6 Ca -0.03 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 2aj0 s VAL 6 Cb -0.00 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2aj0 s VAL 6 CO -0.05 -0.09 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.20 2aj0 s TYR 7 N -0.88 1.13 -0.09 1.54 1.51 -0.40 -4.46 117.35 115.70 2aj0 s TYR 7 Ca -0.02 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.42 2aj0 s TYR 7 Cb -0.07 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2aj0 s TYR 7 CO 0.01 0.03 0.77 1.03 -1.11 0.00 0.00 175.55 176.27 2aj0 s ARG 8 N -1.25 4.41 -0.10 -0.62 0.52 -0.27 -0.78 118.95 120.86 2aj0 s ARG 8 Ca -0.00 0.98 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 2aj0 s ARG 8 Cb -0.08 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 2aj0 s ARG 8 CO 0.01 -0.06 -0.10 0.54 0.02 0.00 0.00 175.30 175.71 2aj0 s VAL 9 N 1.21 3.37 0.04 3.52 0.11 -1.19 -0.61 120.40 126.84 2aj0 s VAL 9 Ca 0.39 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 2aj0 s VAL 9 Cb -0.18 -2.39 -0.02 0.00 -1.53 0.00 0.00 36.38 32.27 2aj0 s VAL 9 CO 0.18 0.56 0.06 -1.81 -3.33 0.00 0.00 175.10 170.75 2aj0 s ASP 10 N -0.24 0.23 0.00 3.54 1.01 -1.26 -4.07 116.67 115.88 2aj0 s ASP 10 Ca 0.02 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2aj0 s ASP 10 Cb -0.13 0.20 0.00 0.00 1.01 0.00 0.00 42.92 44.00 2aj0 s ASP 10 CO 0.03 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 175.53 2aj0 n GLY 11 N 0.82 2.05 3.89 0.21 0.00 -1.26 -3.83 105.19 107.07 2aj0 n GLY 11 Ca -0.19 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 3.08 -0.46 0.99 0.05 -1.26 -5.05 118.68 116.03 2aj0 s LEU 12 Ca 0.00 1.14 0.06 0.00 0.05 0.00 0.00 54.13 55.37 2aj0 s LEU 12 Cb 0.00 -4.02 0.18 0.00 -2.05 0.00 0.00 46.19 40.31 2aj0 s LEU 12 CO 0.00 -1.13 0.53 -0.24 -0.55 0.00 0.00 176.35 174.97 2aj0 n SER 13 N -2.83 -1.83 -3.56 1.48 2.88 -1.26 -3.64 113.62 104.86 2aj0 n SER 13 Ca 0.06 -2.65 -0.16 0.00 -1.33 0.00 0.00 58.87 54.78 2aj0 n SER 13 Cb 0.56 0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 64.48 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 3.31 1.31 -0.74 0.00 2.02 -1.99 -2.82 112.91 114.00 2aj0 h THR 15 Ca -0.27 -1.14 0.09 0.00 0.77 0.00 0.00 66.41 65.86 2aj0 h THR 15 Cb 1.15 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 69.18 2aj0 h THR 15 CO 0.27 0.34 0.39 0.78 0.37 0.00 0.00 175.52 177.67 2aj0 h ASN 16 N 0.05 0.53 -0.56 4.18 4.21 -1.99 0.17 115.58 122.17 2aj0 h ASN 16 Ca 0.04 0.05 0.05 0.00 1.21 0.00 0.00 56.30 57.65 2aj0 h ASN 16 Cb 0.57 -0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 37.67 2aj0 h ASN 16 CO 0.03 0.31 0.29 0.00 -1.29 0.00 0.00 177.43 176.76 2aj0 h ALA 18 N 1.30 0.14 -0.58 0.00 0.00 -0.51 0.18 119.26 119.79 2aj0 h ALA 18 Ca 0.25 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.33 2aj0 h ALA 18 Cb 0.16 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2aj0 h ALA 18 CO -0.17 -0.47 0.17 0.00 0.00 0.00 0.00 179.25 178.78 2aj0 h ALA 19 N 1.20 0.71 -0.36 0.00 0.00 -0.44 0.15 119.26 120.53 2aj0 h ALA 19 Ca 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aj0 h ALA 19 Cb 0.14 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2aj0 h ALA 19 CO -0.20 -0.26 0.20 -0.22 0.00 0.00 0.00 179.25 178.77 2aj0 h LYS 20 N 0.32 0.49 0.28 0.00 3.64 -0.53 -1.46 116.57 119.31 2aj0 h LYS 20 Ca 0.30 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2aj0 h LYS 20 Cb 0.40 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2aj0 h LYS 20 CO -0.34 0.41 -0.27 0.35 -2.27 0.00 0.00 179.45 177.33 2aj0 h PHE 21 N 0.45 -0.74 -0.97 1.91 3.57 0.47 0.13 116.94 121.75 2aj0 h PHE 21 Ca 0.13 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2aj0 h PHE 21 Cb 0.05 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2aj0 h PHE 21 CO -0.03 -0.36 0.64 1.05 -2.23 0.00 0.00 178.31 177.39 2aj0 h GLU 22 N -0.54 1.23 0.18 1.11 -0.00 -0.75 0.12 114.58 115.94 2aj0 h GLU 22 Ca -0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 2aj0 h GLU 22 Cb 0.47 -0.28 -0.01 0.00 -0.00 0.00 0.00 28.75 28.92 2aj0 h GLU 22 CO -0.03 0.82 -0.17 -0.09 -0.00 0.00 0.00 179.01 179.54 2aj0 h ARG 23 N 1.27 -0.36 -0.57 1.06 2.43 -1.25 0.15 114.38 117.11 2aj0 h ARG 23 Ca 0.37 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 2aj0 h ARG 23 Cb -0.06 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 2aj0 h ARG 23 CO -0.10 -0.24 0.16 -0.91 -1.51 0.00 0.00 179.97 177.37 2aj0 h ASN 24 N -0.38 0.11 0.08 -3.80 2.35 0.63 0.10 115.58 114.67 2aj0 h ASN 24 Ca -0.00 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2aj0 h ASN 24 Cb 0.35 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2aj0 h ASN 24 CO -0.04 0.07 -0.07 0.58 -1.65 0.00 0.00 177.43 176.33 2aj0 h VAL 25 N 0.32 0.84 -0.99 2.81 2.07 -0.56 -2.27 116.25 118.46 2aj0 h VAL 25 Ca 0.29 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.02 2aj0 h VAL 25 Cb 0.38 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 2aj0 h VAL 25 CO -0.33 0.00 0.62 0.11 0.02 0.00 0.00 177.57 177.99 2aj0 h LYS 26 N -0.16 0.60 0.00 1.57 1.57 0.25 0.16 116.57 120.55 2aj0 h LYS 26 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2aj0 h LYS 26 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2aj0 h LYS 26 CO -0.01 0.39 0.00 0.39 -0.57 0.00 0.00 179.45 179.65 2aj0 n GLU 27 N -4.71 0.09 -2.90 3.15 -0.58 0.27 -4.60 120.64 111.36 2aj0 n GLU 27 Ca 0.23 0.44 -0.42 0.00 -0.42 0.00 0.00 57.16 56.99 2aj0 n GLU 27 Cb 0.67 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.77 2aj0 n GLU 27 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2aj0 s ILE 28 N -3.22 4.65 0.60 -3.67 1.01 0.57 -4.93 121.20 116.21 2aj0 s ILE 28 Ca 0.03 0.91 0.29 0.00 0.00 0.00 0.00 60.65 61.88 2aj0 s ILE 28 Cb 0.07 -4.28 0.37 0.00 0.01 0.00 0.00 42.46 38.62 2aj0 s ILE 28 CO 0.23 -0.54 1.94 -0.33 0.00 0.00 0.00 174.94 176.25 2aj0 h GLU 29 N 8.59 0.00 -0.03 2.79 3.07 -1.85 -1.23 114.58 125.93 2aj0 h GLU 29 Ca -0.24 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.49 2aj0 h GLU 29 Cb 1.09 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 2aj0 h GLU 29 CO 0.95 0.00 -0.58 0.78 -1.40 0.00 0.00 179.01 178.75 2aj0 h GLY 30 N 0.00 0.11 -0.41 -3.84 0.00 -1.91 -3.47 103.07 93.55 2aj0 h GLY 30 Ca 0.16 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2aj0 h GLY 30 CO -0.00 0.12 0.04 1.55 0.00 0.00 0.00 176.54 178.24 2aj0 n VAL 31 N -3.86 0.00 0.12 4.60 3.14 -0.46 -1.39 118.33 120.48 2aj0 n VAL 31 Ca -0.02 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2aj0 n VAL 31 Cb 0.59 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 2aj0 n VAL 31 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2aj0 n THR 32 N -1.84 0.00 -4.29 1.55 -1.04 0.74 -4.62 114.28 104.78 2aj0 n THR 32 Ca 0.05 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.89 2aj0 n THR 32 Cb 0.18 -0.48 -0.10 0.00 -1.82 0.00 0.00 70.33 68.11 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 -2.00 1.16 -0.04 -2.82 2.02 0.89 -4.93 118.70 112.99 2aj0 s GLU 33 Ca 0.00 -1.43 -0.23 0.00 0.02 0.00 0.00 54.97 53.33 2aj0 s GLU 33 Cb 0.00 -0.95 0.05 0.00 0.10 0.00 0.00 34.13 33.33 2aj0 s GLU 33 CO 0.00 0.16 0.50 0.00 0.02 0.00 0.00 175.26 175.94 2aj0 s ALA 34 N -2.73 -1.28 -0.05 5.21 0.00 -1.26 0.50 121.76 122.15 2aj0 s ALA 34 Ca 0.16 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2aj0 s ALA 34 Cb -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2aj0 s ALA 34 CO 0.04 -0.31 -0.10 0.42 0.00 0.00 0.00 175.76 175.80 2aj0 s ILE 35 N -1.19 0.97 -0.27 0.00 1.01 0.71 -4.94 121.20 117.48 2aj0 s ILE 35 Ca -0.12 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2aj0 s ILE 35 Cb -0.03 -0.89 0.06 0.00 0.01 0.00 0.00 42.46 41.61 2aj0 s ILE 35 CO 0.07 0.31 -0.08 0.54 0.00 0.00 0.00 174.94 175.78 2aj0 s VAL 36 N 0.61 2.38 -1.09 2.92 0.11 -1.26 -0.16 120.40 123.91 2aj0 s VAL 36 Ca -0.12 -1.57 -0.07 0.00 -2.93 0.00 0.00 61.98 57.29 2aj0 s VAL 36 Cb -0.14 -2.39 0.28 0.00 -1.53 0.00 0.00 36.38 32.59 2aj0 s VAL 36 CO 0.02 -0.05 1.16 0.59 -3.33 0.00 0.00 175.10 173.49 2aj0 n ASN 37 N 4.48 5.56 -4.64 3.54 3.02 0.07 -4.97 115.26 122.33 2aj0 n ASN 37 Ca -0.14 -3.13 -0.29 0.00 -0.03 0.00 0.00 54.58 51.00 2aj0 n ASN 37 Cb 0.42 -1.32 0.19 0.00 -0.61 0.00 0.00 39.78 38.47 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 -1.61 1.94 0.00 3.10 0.08 -1.26 -2.55 117.98 117.68 2aj0 s PHE 38 Ca 0.31 1.04 0.00 0.00 0.12 0.00 0.00 56.93 58.39 2aj0 s PHE 38 Cb -0.07 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 2aj0 s PHE 38 CO -0.05 -3.11 0.00 0.41 -0.10 0.00 0.00 175.22 172.38 2aj0 n GLY 39 N -0.68 2.13 2.69 4.36 0.00 -1.24 -4.65 105.19 107.80 2aj0 n GLY 39 Ca 0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.62 -2.00 4.61 0.00 -1.26 -4.68 120.51 114.56 2aj0 n ALA 40 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2aj0 n ALA 40 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 16.97 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 1.26 0.00 -3.49 0.00 7.64 -1.19 -5.12 113.62 112.72 2aj0 n SER 41 Ca 0.03 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 2aj0 n SER 41 Cb 0.69 0.00 -0.03 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 2.31 1.21 -0.18 1.43 -2.85 -1.06 -3.15 119.74 117.45 2aj0 s LYS 42 Ca 0.00 -0.55 0.01 0.00 -1.00 0.00 0.00 55.97 54.43 2aj0 s LYS 42 Cb 0.00 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.36 2aj0 s LYS 42 CO 0.00 -0.51 -0.10 -1.50 0.10 0.00 0.00 175.35 173.34 2aj0 s ILE 43 N -3.77 1.53 0.08 3.79 -1.16 0.04 -0.75 121.20 120.95 2aj0 s ILE 43 Ca 0.02 -0.87 -0.16 0.00 -0.51 0.00 0.00 60.65 59.13 2aj0 s ILE 43 Cb -0.00 -1.59 -0.06 0.00 0.61 0.00 0.00 42.46 41.41 2aj0 s ILE 43 CO -0.13 0.21 0.51 -0.89 -2.81 0.00 0.00 174.94 171.84 2aj0 s THR 44 N 1.46 4.86 -0.00 4.00 2.01 0.77 -1.28 115.64 127.46 2aj0 s THR 44 Ca 0.00 0.97 0.04 0.00 0.31 0.00 0.00 61.69 63.01 2aj0 s THR 44 Cb -0.15 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2aj0 s THR 44 CO -0.09 0.45 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 2aj0 s VAL 45 N -1.23 1.08 -0.11 3.82 1.01 0.60 -0.21 120.40 125.36 2aj0 s VAL 45 Ca 0.31 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2aj0 s VAL 45 Cb -0.17 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.34 2aj0 s VAL 45 CO 0.18 0.26 0.27 -0.89 0.00 0.00 0.00 175.10 174.91 2aj0 s THR 46 N -0.40 -0.03 0.00 3.92 2.01 0.18 -0.71 115.64 120.62 2aj0 s THR 46 Ca 0.05 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2aj0 s THR 46 Cb -0.06 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2aj0 s THR 46 CO -0.00 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2aj0 n GLY 47 N 3.80 -0.35 2.71 4.40 0.00 -0.46 -0.07 105.19 115.22 2aj0 n GLY 47 Ca -0.21 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.86 -3.96 1.61 0.00 -0.49 -4.05 120.64 114.61 2aj0 n GLU 48 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 57.16 55.43 2aj0 n GLU 48 Cb 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 31.44 30.75 2aj0 n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aj0 s ALA 49 N 0.20 -0.21 0.28 4.31 0.00 -1.24 -4.49 121.76 120.62 2aj0 s ALA 49 Ca 0.21 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.39 2aj0 s ALA 49 Cb 0.30 1.01 -0.06 0.00 0.00 0.00 0.00 23.12 24.37 2aj0 s ALA 49 CO -0.08 -0.78 -0.04 -1.12 0.00 0.00 0.00 175.76 173.74 2aj0 s SER 50 N -2.99 2.67 0.54 0.00 0.01 -1.26 -4.83 113.70 107.84 2aj0 s SER 50 Ca 0.20 -1.22 0.25 0.00 1.31 0.00 0.00 55.95 56.49 2aj0 s SER 50 Cb 0.01 -0.15 1.43 0.00 0.21 0.00 0.00 66.02 67.52 2aj0 s SER 50 CO 0.05 -0.39 2.03 -0.29 0.41 0.00 0.00 173.24 175.05 2aj0 h ILE 51 N 2.26 0.70 -0.78 1.44 6.09 -1.99 -2.19 117.51 123.04 2aj0 h ILE 51 Ca -0.40 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.24 2aj0 h ILE 51 Cb 1.23 0.78 -0.14 0.00 0.47 0.00 0.00 36.82 39.16 2aj0 h ILE 51 CO 0.68 0.00 -0.22 0.00 -3.07 0.00 0.00 178.15 175.54 2aj0 n GLN 52 N -4.25 -0.10 -0.12 2.19 1.13 -1.26 0.24 117.38 115.21 2aj0 n GLN 52 Ca 0.06 1.21 -0.13 0.00 -1.94 0.00 0.00 57.00 56.21 2aj0 n GLN 52 Cb 0.49 -1.81 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 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 0.83 -0.57 -1.09 4.20 -1.82 -1.31 115.11 115.34 2aj0 h GLN 53 Ca 0.35 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2aj0 h GLN 53 Cb 0.54 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2aj0 h GLN 53 CO -0.80 1.04 0.05 0.28 -0.67 0.00 0.00 178.83 178.73 2aj0 h VAL 54 N 0.63 1.25 0.37 -0.54 2.07 -0.62 -1.90 116.25 117.51 2aj0 h VAL 54 Ca 0.07 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 2aj0 h VAL 54 Cb 0.84 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2aj0 h VAL 54 CO 0.07 0.37 -0.18 -0.08 0.02 0.00 0.00 177.57 177.78 2aj0 h GLU 55 N 0.88 -0.47 -0.90 1.57 4.22 -0.13 0.32 114.58 120.07 2aj0 h GLU 55 Ca 0.17 0.03 0.21 0.00 0.08 0.00 0.00 59.36 59.85 2aj0 h GLU 55 Cb 0.46 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 2aj0 h GLU 55 CO 0.02 -0.27 0.43 0.37 -2.18 0.00 0.00 179.01 177.37 2aj0 h GLN 56 N -0.56 0.46 -0.12 1.92 5.75 -1.03 0.22 115.11 121.75 2aj0 h GLN 56 Ca -0.05 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 2aj0 h GLN 56 Cb 0.42 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 2aj0 h GLN 56 CO 0.08 0.30 -0.04 0.00 -2.65 0.00 0.00 178.83 176.53 2aj0 h ALA 57 N 1.68 0.17 0.00 3.38 0.00 -0.95 -3.09 119.26 120.45 2aj0 h ALA 57 Ca 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2aj0 h ALA 57 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2aj0 h ALA 57 CO -0.48 -0.07 0.15 0.78 0.00 0.00 0.00 179.25 179.63 2aj0 h GLY 58 N -0.08 0.00 -1.77 0.00 0.00 0.26 -1.56 103.07 99.92 2aj0 h GLY 58 Ca 0.03 0.00 0.53 0.00 0.00 0.00 0.00 47.33 47.89 2aj0 h GLY 58 CO 0.01 0.00 1.37 0.00 0.00 0.00 0.00 176.54 177.93 2aj0 h ALA 59 N 1.63 3.72 -0.99 3.60 0.00 -0.73 0.33 119.26 126.82 2aj0 h ALA 59 Ca 0.00 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.08 2aj0 h ALA 59 Cb 0.30 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2aj0 h ALA 59 CO 0.00 -2.31 0.64 0.27 0.00 0.00 0.00 179.25 177.85 2aj0 h PHE 60 N 0.00 0.65 0.00 0.00 -5.15 -1.54 -3.13 116.94 107.78 2aj0 h PHE 60 Ca 0.86 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 58.65 2aj0 h PHE 60 Cb 3.60 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 39.58 2aj0 h PHE 60 CO 0.00 0.11 0.00 0.39 -2.00 0.00 0.00 178.31 176.81 2aj0 n GLU 61 N -4.59 1.93 -2.21 6.09 -0.58 0.41 -5.07 120.64 116.62 2aj0 n GLU 61 Ca 0.23 -0.18 -0.05 0.00 -0.42 0.00 0.00 57.16 56.73 2aj0 n GLU 61 Cb 0.79 -0.61 0.03 0.00 -0.57 0.00 0.00 31.44 31.08 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2aj0 n HIS 62 N -0.33 -0.84 -1.83 -0.32 8.25 0.89 -5.00 115.22 116.05 2aj0 n HIS 62 Ca 0.00 0.31 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 2aj0 n HIS 62 Cb 0.04 -3.07 0.08 0.00 1.12 0.00 0.00 29.99 28.16 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 -3.75 2.55 -0.44 2.41 2.01 -1.22 -4.99 118.68 115.25 2aj0 s LEU 63 Ca 0.12 0.92 0.09 0.00 0.01 0.00 0.00 54.13 55.27 2aj0 s LEU 63 Cb -0.02 -3.48 0.30 0.00 0.01 0.00 0.00 46.19 43.01 2aj0 s LEU 63 CO 0.26 -1.84 0.69 2.29 1.01 0.00 0.00 176.35 178.75 2aj0 n LYS 64 N -3.30 1.36 -2.75 1.70 0.00 -1.25 -4.95 118.16 108.98 2aj0 n LYS 64 Ca 0.07 -3.67 -0.42 0.00 -0.00 0.00 0.00 58.31 54.30 2aj0 n LYS 64 Cb 0.60 -1.67 -0.03 0.00 -0.00 0.00 0.00 35.03 33.92 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 -2.28 4.83 -0.08 0.58 1.01 -1.26 -4.30 121.20 119.70 2aj0 s ILE 65 Ca 0.39 1.99 0.04 0.00 0.00 0.00 0.00 60.65 63.08 2aj0 s ILE 65 Cb 0.26 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2aj0 s ILE 65 CO -0.09 0.20 -0.21 -0.63 0.00 0.00 0.00 174.94 174.21 2aj0 s ILE 66 N 0.82 1.78 -0.40 2.92 1.01 0.22 -4.96 121.20 122.59 2aj0 s ILE 66 Ca 0.50 -0.87 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 2aj0 s ILE 66 Cb -0.21 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2aj0 s ILE 66 CO 0.27 0.50 1.88 -2.16 0.00 0.00 0.00 174.94 175.43 2aj0 s PRO 67 N 0.33 3.07 0.19 2.79 0.04 -1.26 -1.12 135.00 139.04 2aj0 s PRO 67 Ca -0.15 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 2aj0 s PRO 67 Cb -0.16 -4.28 0.16 0.00 0.04 0.00 0.00 34.50 30.25 2aj0 s PRO 67 CO 0.06 -2.17 1.63 0.93 0.04 0.00 0.00 177.00 177.49 2aj0 h GLU 68 N 13.95 -0.07 0.00 4.56 5.08 -1.93 -3.49 114.58 132.69 2aj0 h GLU 68 Ca -0.32 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.22 2aj0 h GLU 68 Cb 1.18 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2aj0 h GLU 68 CO 1.08 -0.05 -0.23 1.17 -1.00 0.00 0.00 179.01 179.98 2aj0 n LYS 69 N -5.40 -1.30 -3.54 2.33 4.81 -1.26 -5.04 118.16 108.75 2aj0 n LYS 69 Ca 0.05 0.85 -0.10 0.00 -0.87 0.00 0.00 58.31 58.24 2aj0 n LYS 69 Cb 0.31 -1.58 -0.04 0.00 0.02 0.00 0.00 35.03 33.74 2aj0 n LYS 69 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2aj0 s GLU 70 N -1.01 0.71 0.00 1.64 -1.05 -1.26 -5.19 118.70 112.54 2aj0 s GLU 70 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.79 2aj0 s GLU 70 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 2aj0 s GLU 70 CO 0.00 -0.26 0.00 0.00 0.95 0.00 0.00 175.26 175.95