#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 -1.84 -0.35 3.17 0.00 -1.26 -5.07 121.76 116.41 2aj0 s ALA 2 Ca 0.00 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2aj0 s ALA 2 Cb 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 2aj0 s ALA 2 CO 0.00 -0.42 3.10 0.39 0.00 0.00 0.00 175.76 178.82 2aj0 n GLU 3 N 0.55 2.39 -5.09 0.00 4.71 -1.26 -4.78 120.64 117.15 2aj0 n GLU 3 Ca -0.13 -1.87 -0.32 0.00 -0.01 0.00 0.00 57.16 54.83 2aj0 n GLU 3 Cb 0.59 -2.13 -0.15 0.00 -1.01 0.00 0.00 31.44 28.73 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 2aj0 s LYS 4 N -0.51 2.74 0.04 3.49 -2.85 -1.26 -1.27 119.74 120.12 2aj0 s LYS 4 Ca 0.62 -0.82 -0.10 0.00 -1.00 0.00 0.00 55.97 54.68 2aj0 s LYS 4 Cb 0.34 -2.31 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 2aj0 s LYS 4 CO -0.13 0.38 0.20 0.99 0.10 0.00 0.00 175.35 176.89 2aj0 s THR 5 N -0.14 0.11 0.01 3.79 2.01 -0.18 -5.01 115.64 116.23 2aj0 s THR 5 Ca -0.03 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.11 2aj0 s THR 5 Cb -0.14 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 2aj0 s THR 5 CO 0.04 -0.49 -0.08 0.54 -0.69 0.00 0.00 174.62 173.94 2aj0 s VAL 6 N -2.53 0.65 -0.01 3.82 0.11 -1.26 -0.14 120.40 121.04 2aj0 s VAL 6 Ca -0.05 -0.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.49 2aj0 s VAL 6 Cb -0.01 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2aj0 s VAL 6 CO -0.04 0.04 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.30 2aj0 s TYR 7 N -0.49 1.44 -0.12 1.54 1.51 -0.14 -4.00 117.35 117.09 2aj0 s TYR 7 Ca 0.00 -0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 55.53 2aj0 s TYR 7 Cb -0.05 -0.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 2aj0 s TYR 7 CO 0.00 -0.02 0.81 0.50 -1.11 0.00 0.00 175.55 175.73 2aj0 s ARG 8 N -0.44 4.37 0.04 -0.62 3.52 0.71 -0.45 118.95 126.07 2aj0 s ARG 8 Ca 0.06 1.02 0.05 0.00 -0.13 0.00 0.00 55.73 56.72 2aj0 s ARG 8 Cb -0.06 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 2aj0 s ARG 8 CO -0.00 -0.17 -0.07 0.54 -0.81 0.00 0.00 175.30 174.78 2aj0 s VAL 9 N 1.59 3.58 0.25 7.11 0.11 -1.25 -0.68 120.40 131.12 2aj0 s VAL 9 Ca 0.39 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 2aj0 s VAL 9 Cb -0.17 -2.60 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 2aj0 s VAL 9 CO 0.16 0.29 0.33 -0.62 -3.33 0.00 0.00 175.10 171.93 2aj0 s ASP 10 N -1.73 0.27 -1.03 3.54 -1.08 -1.26 -4.53 116.67 110.86 2aj0 s ASP 10 Ca 0.19 -1.25 -0.04 0.00 -0.52 0.00 0.00 52.55 50.94 2aj0 s ASP 10 Cb -0.11 0.52 -0.04 0.00 -1.46 0.00 0.00 42.92 41.82 2aj0 s ASP 10 CO 0.10 -1.05 0.89 0.61 0.52 0.00 0.00 175.17 176.24 2aj0 n GLY 11 N -0.38 -0.80 3.69 2.66 0.00 -1.26 -4.20 105.19 104.89 2aj0 n GLY 11 Ca 0.01 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 -5.51 -0.31 -0.35 0.99 0.05 -1.26 -4.91 118.68 107.37 2aj0 s LEU 12 Ca 0.29 -0.33 0.01 0.00 0.05 0.00 0.00 54.13 54.15 2aj0 s LEU 12 Cb -0.04 2.43 0.29 0.00 -2.05 0.00 0.00 46.19 46.82 2aj0 s LEU 12 CO 0.69 -1.03 1.26 -1.54 -0.55 0.00 0.00 176.35 175.18 2aj0 n SER 13 N -0.42 -1.44 -3.66 1.48 3.41 -1.26 -4.43 113.62 107.30 2aj0 n SER 13 Ca -0.08 -2.01 -0.06 0.00 -0.26 0.00 0.00 58.87 56.45 2aj0 n SER 13 Cb 0.61 1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.49 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 5.67 1.06 -0.58 0.00 2.02 -2.01 -0.05 112.91 119.02 2aj0 h THR 15 Ca -0.24 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 66.72 2aj0 h THR 15 Cb 1.15 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2aj0 h THR 15 CO 0.16 0.14 0.32 0.78 0.37 0.00 0.00 175.52 177.29 2aj0 h ASN 16 N 0.76 0.49 -0.38 4.18 2.35 -1.98 0.23 115.58 121.23 2aj0 h ASN 16 Ca 0.27 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2aj0 h ASN 16 Cb 0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2aj0 h ASN 16 CO -0.12 0.33 0.22 0.00 -1.65 0.00 0.00 177.43 176.21 2aj0 h ALA 18 N 1.08 0.59 0.12 0.00 0.00 -0.22 0.11 119.26 120.94 2aj0 h ALA 18 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2aj0 h ALA 18 Cb 0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2aj0 h ALA 18 CO -0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 179.25 178.90 2aj0 h ALA 19 N 1.37 -0.16 -0.67 0.00 0.00 -0.16 0.91 119.26 120.54 2aj0 h ALA 19 Ca 0.25 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2aj0 h ALA 19 Cb 0.31 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2aj0 h ALA 19 CO -0.29 -0.55 0.26 -0.22 0.00 0.00 0.00 179.25 178.44 2aj0 h LYS 20 N -0.25 0.41 0.45 0.00 3.64 -0.69 -0.30 116.57 119.83 2aj0 h LYS 20 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2aj0 h LYS 20 Cb 0.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2aj0 h LYS 20 CO 0.03 0.27 -0.34 0.35 -2.27 0.00 0.00 179.45 177.50 2aj0 h PHE 21 N 0.43 -0.91 -0.78 1.91 3.57 0.00 0.15 116.94 121.30 2aj0 h PHE 21 Ca 0.35 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 2aj0 h PHE 21 Cb 0.47 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 2aj0 h PHE 21 CO -0.17 -0.48 0.49 1.05 -2.23 0.00 0.00 178.31 176.97 2aj0 h GLU 22 N -0.75 1.05 -0.04 1.11 4.11 -0.53 0.96 114.58 120.49 2aj0 h GLU 22 Ca -0.06 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 2aj0 h GLU 22 Cb 0.62 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2aj0 h GLU 22 CO 0.02 0.72 0.02 -0.09 0.07 0.00 0.00 179.01 179.75 2aj0 h ARG 23 N 1.07 0.05 -0.40 1.06 2.43 -1.03 0.19 114.38 117.76 2aj0 h ARG 23 Ca 0.28 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.53 2aj0 h ARG 23 Cb -0.07 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 2aj0 h ARG 23 CO -0.06 0.10 -0.13 -0.91 -1.51 0.00 0.00 179.97 177.46 2aj0 h ASN 24 N -0.01 -0.47 -0.15 -3.80 2.35 0.45 0.16 115.58 114.11 2aj0 h ASN 24 Ca 0.01 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2aj0 h ASN 24 Cb 0.06 0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2aj0 h ASN 24 CO -0.00 -0.17 -0.04 0.58 -1.65 0.00 0.00 177.43 176.15 2aj0 h VAL 25 N -0.05 0.83 -0.83 2.81 2.07 -0.51 -1.61 116.25 118.97 2aj0 h VAL 25 Ca 0.19 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.89 2aj0 h VAL 25 Cb 0.34 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2aj0 h VAL 25 CO -0.43 0.00 0.55 0.11 0.02 0.00 0.00 177.57 177.82 2aj0 h LYS 26 N -0.01 0.41 0.00 1.57 1.57 0.14 0.12 116.57 120.36 2aj0 h LYS 26 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2aj0 h LYS 26 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2aj0 h LYS 26 CO -0.16 0.27 0.00 0.93 -0.57 0.00 0.00 179.45 179.92 2aj0 h GLU 27 N 0.42 0.00 -6.56 3.15 5.08 0.03 -3.43 114.58 113.28 2aj0 h GLU 27 Ca 0.42 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.22 2aj0 h GLU 27 Cb 1.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 2aj0 h GLU 27 CO -0.15 0.00 0.99 0.42 -1.00 0.00 0.00 179.01 179.27 2aj0 s ILE 28 N -3.49 4.09 0.51 3.13 1.01 0.41 -4.89 121.20 121.97 2aj0 s ILE 28 Ca 0.02 1.14 0.29 0.00 0.00 0.00 0.00 60.65 62.10 2aj0 s ILE 28 Cb 0.09 -4.36 0.47 0.00 0.01 0.00 0.00 42.46 38.67 2aj0 s ILE 28 CO 0.42 -0.79 1.86 -0.33 0.00 0.00 0.00 174.94 176.10 2aj0 h GLU 29 N 9.78 0.10 0.00 2.79 4.39 -1.85 -0.26 114.58 129.53 2aj0 h GLU 29 Ca -0.25 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 2aj0 h GLU 29 Cb 1.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2aj0 h GLU 29 CO 1.09 0.06 -0.21 0.78 -1.16 0.00 0.00 179.01 179.58 2aj0 h GLY 30 N 0.10 0.00 -2.67 -3.84 0.00 -1.90 -3.45 103.07 91.31 2aj0 h GLY 30 Ca 0.47 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.34 2aj0 h GLY 30 CO -0.06 0.00 -0.25 0.54 0.00 0.00 0.00 176.54 176.77 2aj0 s VAL 31 N -3.94 4.51 -0.07 4.60 0.11 -0.11 -1.32 120.40 124.18 2aj0 s VAL 31 Ca -0.01 -0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 2aj0 s VAL 31 Cb 0.12 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2aj0 s VAL 31 CO 0.62 -0.34 -0.17 0.41 -3.33 0.00 0.00 175.10 172.30 2aj0 n THR 32 N -1.77 1.16 -4.20 5.04 -1.04 -1.03 -4.82 114.28 107.62 2aj0 n THR 32 Ca -0.02 0.13 -0.12 0.00 -2.04 0.00 0.00 64.05 62.00 2aj0 n THR 32 Cb 0.57 -1.86 -0.10 0.00 -1.82 0.00 0.00 70.33 67.12 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 -2.37 1.02 -0.20 -2.82 2.02 1.00 -5.00 118.70 112.33 2aj0 s GLU 33 Ca -0.15 -1.49 -0.17 0.00 0.02 0.00 0.00 54.97 53.18 2aj0 s GLU 33 Cb 0.04 -0.04 0.06 0.00 0.10 0.00 0.00 34.13 34.29 2aj0 s GLU 33 CO 0.22 -0.19 0.53 0.00 0.02 0.00 0.00 175.26 175.83 2aj0 s ALA 34 N -3.83 -1.32 -0.40 5.21 0.00 -1.26 0.02 121.76 120.18 2aj0 s ALA 34 Ca 0.23 1.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 2aj0 s ALA 34 Cb 0.07 -0.94 0.10 0.00 0.00 0.00 0.00 23.12 22.35 2aj0 s ALA 34 CO 0.03 -0.27 0.19 0.42 0.00 0.00 0.00 175.76 176.13 2aj0 s ILE 35 N 0.61 3.36 -0.22 0.00 -1.09 0.72 -4.94 121.20 119.62 2aj0 s ILE 35 Ca -0.03 -1.92 -0.26 0.00 -2.23 0.00 0.00 60.65 56.22 2aj0 s ILE 35 Cb -0.05 -3.24 -0.00 0.00 -1.58 0.00 0.00 42.46 37.59 2aj0 s ILE 35 CO -0.04 -0.61 0.88 -0.69 -1.23 0.00 0.00 174.94 173.25 2aj0 s VAL 36 N 1.18 4.81 -0.42 2.92 1.01 -1.26 -0.68 120.40 127.96 2aj0 s VAL 36 Ca 0.06 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.74 2aj0 s VAL 36 Cb -0.23 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.10 2aj0 s VAL 36 CO -0.03 -0.07 0.18 0.20 0.00 0.00 0.00 175.10 175.37 2aj0 s ASN 37 N 1.27 4.89 0.58 3.32 0.01 0.61 -4.99 114.94 120.62 2aj0 s ASN 37 Ca 0.38 -2.35 0.00 0.00 -0.71 0.00 0.00 52.86 50.18 2aj0 s ASN 37 Cb -0.16 -1.72 0.00 0.00 0.41 0.00 0.00 41.25 39.79 2aj0 s ASN 37 CO 0.08 -0.40 0.00 0.49 -1.51 0.00 0.00 177.10 175.76 2aj0 n PHE 38 N 4.07 -2.52 0.00 2.20 3.01 -1.26 -1.33 117.46 121.63 2aj0 n PHE 38 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2aj0 n PHE 38 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 2aj0 n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aj0 n GLY 39 N 5.00 1.95 2.69 1.37 0.00 -1.26 -3.91 105.19 111.04 2aj0 n GLY 39 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.03 -2.03 4.61 0.00 -1.26 -4.75 120.51 114.05 2aj0 n ALA 40 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2aj0 n ALA 40 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.73 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 1.84 0.00 -3.62 0.00 7.64 -1.23 -5.15 113.62 113.09 2aj0 n SER 41 Ca 0.06 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.85 2aj0 n SER 41 Cb 0.67 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.85 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 3.16 1.40 -0.24 1.43 -2.85 -0.44 -3.79 119.74 118.42 2aj0 s LYS 42 Ca 0.00 -0.66 0.02 0.00 -1.00 0.00 0.00 55.97 54.33 2aj0 s LYS 42 Cb 0.00 0.55 0.05 0.00 -2.06 0.00 0.00 37.83 36.37 2aj0 s LYS 42 CO 0.00 -0.63 -0.12 -1.50 0.10 0.00 0.00 175.35 173.20 2aj0 s ILE 43 N -3.69 2.07 0.23 3.79 -1.16 0.40 -0.29 121.20 122.56 2aj0 s ILE 43 Ca 0.06 -1.42 -0.14 0.00 -0.51 0.00 0.00 60.65 58.64 2aj0 s ILE 43 Cb -0.03 -2.12 -0.08 0.00 0.61 0.00 0.00 42.46 40.84 2aj0 s ILE 43 CO -0.04 0.10 0.64 -0.89 -2.81 0.00 0.00 174.94 171.94 2aj0 s THR 44 N 1.18 4.77 -0.02 4.00 2.01 0.15 -0.97 115.64 126.76 2aj0 s THR 44 Ca -0.05 0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.82 2aj0 s THR 44 Cb -0.18 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 2aj0 s THR 44 CO -0.07 0.03 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.11 2aj0 s VAL 45 N -1.72 0.75 -0.28 3.82 1.01 0.80 -0.20 120.40 124.57 2aj0 s VAL 45 Ca 0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2aj0 s VAL 45 Cb -0.13 -0.65 0.13 0.00 0.00 0.00 0.00 36.38 35.72 2aj0 s VAL 45 CO 0.19 0.23 0.26 -0.89 0.00 0.00 0.00 175.10 174.89 2aj0 s THR 46 N 0.05 -0.35 0.00 3.92 2.01 0.10 -1.01 115.64 120.37 2aj0 s THR 46 Ca -0.01 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2aj0 s THR 46 Cb -0.07 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.49 2aj0 s THR 46 CO 0.00 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.06 2aj0 n GLY 47 N 5.30 -1.51 2.59 4.40 0.00 -0.39 -0.00 105.19 115.57 2aj0 n GLY 47 Ca -0.03 0.78 -0.04 0.00 0.00 0.00 0.00 46.02 46.73 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 1.09 -4.28 1.61 2.13 -0.44 -4.74 120.64 116.01 2aj0 n GLU 48 Ca 0.00 -1.31 -0.15 0.00 0.66 0.00 0.00 57.16 56.36 2aj0 n GLU 48 Cb 0.00 0.17 -0.10 0.00 0.27 0.00 0.00 31.44 31.78 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 0.14 1.54 0.29 4.31 0.00 -1.19 -4.66 121.76 122.20 2aj0 s ALA 49 Ca 0.13 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.31 2aj0 s ALA 49 Cb 0.36 1.11 -0.06 0.00 0.00 0.00 0.00 23.12 24.54 2aj0 s ALA 49 CO -0.09 -0.49 0.08 -1.12 0.00 0.00 0.00 175.76 174.14 2aj0 s SER 50 N -3.26 1.75 0.48 0.00 0.01 -1.26 -4.90 113.70 106.51 2aj0 s SER 50 Ca 0.37 -1.38 0.14 0.00 1.31 0.00 0.00 55.95 56.39 2aj0 s SER 50 Cb 0.08 0.05 1.13 0.00 0.21 0.00 0.00 66.02 67.48 2aj0 s SER 50 CO 0.12 -0.67 2.09 -0.29 0.41 0.00 0.00 173.24 174.90 2aj0 h ILE 51 N 2.26 1.06 -0.87 1.44 6.09 -2.00 -3.07 117.51 122.42 2aj0 h ILE 51 Ca -0.39 -0.23 0.15 0.00 -1.37 0.00 0.00 64.86 63.02 2aj0 h ILE 51 Cb 1.25 1.04 -0.15 0.00 0.47 0.00 0.00 36.82 39.43 2aj0 h ILE 51 CO 0.65 0.07 -0.30 0.00 -3.07 0.00 0.00 178.15 175.50 2aj0 n GLN 52 N -4.46 -0.16 -0.10 2.19 1.13 -1.26 0.37 117.38 115.09 2aj0 n GLN 52 Ca -0.02 1.34 -0.08 0.00 -1.94 0.00 0.00 57.00 56.30 2aj0 n GLN 52 Cb 0.14 -1.99 -0.00 0.00 0.11 0.00 0.00 30.24 28.49 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 0.42 -0.59 -1.09 7.50 -1.97 -0.35 115.11 119.02 2aj0 h GLN 53 Ca 0.34 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.43 2aj0 h GLN 53 Cb 0.56 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.97 2aj0 h GLN 53 CO -0.87 0.28 0.25 0.28 -1.50 0.00 0.00 178.83 177.26 2aj0 h VAL 54 N 0.43 1.22 0.27 -0.54 2.07 -0.22 -0.41 116.25 119.08 2aj0 h VAL 54 Ca 0.13 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2aj0 h VAL 54 Cb -0.02 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2aj0 h VAL 54 CO -0.05 0.27 -0.14 -0.08 0.02 0.00 0.00 177.57 177.59 2aj0 h GLU 55 N 0.82 -0.36 -0.31 1.57 4.81 -0.15 0.34 114.58 121.31 2aj0 h GLU 55 Ca 0.20 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 2aj0 h GLU 55 Cb 0.19 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 2aj0 h GLU 55 CO -0.02 -0.24 -0.21 0.37 -0.73 0.00 0.00 179.01 178.18 2aj0 h GLN 56 N -0.37 -0.17 -0.89 1.92 4.15 -0.90 -0.18 115.11 118.66 2aj0 h GLN 56 Ca -0.04 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.48 2aj0 h GLN 56 Cb 0.29 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.95 2aj0 h GLN 56 CO 0.06 -0.12 0.54 0.00 -1.93 0.00 0.00 178.83 177.38 2aj0 h ALA 57 N 0.97 1.27 0.00 3.38 0.00 -0.62 -0.28 119.26 123.98 2aj0 h ALA 57 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2aj0 h ALA 57 Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2aj0 h ALA 57 CO -0.41 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2aj0 n GLY 58 N -1.33 -0.47 0.43 0.00 0.00 0.12 -3.04 105.19 100.89 2aj0 n GLY 58 Ca 0.14 -0.02 0.22 0.00 0.00 0.00 0.00 46.02 46.36 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 2.20 2.31 -0.84 4.61 0.00 -0.42 0.24 119.26 127.36 2aj0 h ALA 59 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2aj0 h ALA 59 Cb 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2aj0 h ALA 59 CO 0.00 -0.99 0.55 0.27 0.00 0.00 0.00 179.25 179.08 2aj0 h PHE 60 N 0.00 0.72 0.00 0.00 -5.15 -1.78 -3.20 116.94 107.53 2aj0 h PHE 60 Ca 0.26 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 58.05 2aj0 h PHE 60 Cb 1.67 -0.23 0.00 0.00 0.22 0.00 0.00 35.95 37.61 2aj0 h PHE 60 CO 0.00 0.28 0.00 0.39 -2.00 0.00 0.00 178.31 176.98 2aj0 n GLU 61 N -4.53 3.34 -2.57 6.09 1.02 0.02 -5.06 120.64 118.95 2aj0 n GLU 61 Ca 0.16 -0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.02 2aj0 n GLU 61 Cb 0.46 -0.66 0.04 0.00 -0.02 0.00 0.00 31.44 31.26 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2aj0 n HIS 62 N -0.53 -1.38 -1.91 -0.32 8.25 0.62 -5.03 115.22 114.91 2aj0 n HIS 62 Ca 0.00 0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 57.67 2aj0 n HIS 62 Cb 0.01 -3.50 0.08 0.00 1.12 0.00 0.00 29.99 27.70 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 -4.39 2.61 -0.47 2.41 2.01 -1.24 -5.02 118.68 114.58 2aj0 s LEU 63 Ca 0.21 0.84 0.08 0.00 0.01 0.00 0.00 54.13 55.27 2aj0 s LEU 63 Cb -0.03 -3.41 0.27 0.00 0.01 0.00 0.00 46.19 43.03 2aj0 s LEU 63 CO 0.42 -1.77 0.64 2.29 1.01 0.00 0.00 176.35 178.94 2aj0 n LYS 64 N -3.23 1.43 -2.85 1.70 0.00 -1.26 -4.99 118.16 108.96 2aj0 n LYS 64 Ca 0.08 -3.77 -0.40 0.00 -0.00 0.00 0.00 58.31 54.22 2aj0 n LYS 64 Cb 0.60 -1.64 -0.06 0.00 -0.00 0.00 0.00 35.03 33.93 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 -1.91 4.23 -0.05 0.58 1.01 -1.26 -4.34 121.20 119.46 2aj0 s ILE 65 Ca 0.38 1.92 0.03 0.00 0.00 0.00 0.00 60.65 62.98 2aj0 s ILE 65 Cb 0.19 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2aj0 s ILE 65 CO -0.08 0.50 -0.12 -0.63 0.00 0.00 0.00 174.94 174.61 2aj0 s ILE 66 N -1.08 1.09 -0.98 2.92 1.01 0.15 -4.95 121.20 119.35 2aj0 s ILE 66 Ca 0.39 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 60.30 2aj0 s ILE 66 Cb -0.25 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2aj0 s ILE 66 CO 0.29 0.33 1.91 -2.16 0.00 0.00 0.00 174.94 175.31 2aj0 s PRO 67 N 0.34 2.63 -0.79 2.79 0.04 -1.26 -0.21 135.00 138.54 2aj0 s PRO 67 Ca -0.08 -0.57 -0.25 0.00 0.04 0.00 0.00 61.00 60.14 2aj0 s PRO 67 Cb -0.12 -5.13 -0.07 0.00 0.04 0.00 0.00 34.50 29.22 2aj0 s PRO 67 CO 0.02 -3.42 2.09 -2.00 0.04 0.00 0.00 177.00 173.73 2aj0 s GLU 68 N 6.71 2.29 0.83 4.56 2.12 -1.26 -4.96 118.70 128.99 2aj0 s GLU 68 Ca 0.68 0.20 -0.11 0.00 0.36 0.00 0.00 54.97 56.09 2aj0 s GLU 68 Cb -0.05 -4.84 0.10 0.00 0.26 0.00 0.00 34.13 29.60 2aj0 s GLU 68 CO 0.02 -3.53 1.15 0.15 -0.54 0.00 0.00 175.26 172.51 2aj0 s LYS 69 N 7.59 1.59 -0.10 4.30 -0.14 -1.26 -4.80 119.74 126.93 2aj0 s LYS 69 Ca 0.77 1.51 0.03 0.00 -1.36 0.00 0.00 55.97 56.92 2aj0 s LYS 69 Cb -0.10 -1.80 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 2aj0 s LYS 69 CO 0.07 -2.20 -0.18 -2.00 -0.76 0.00 0.00 175.35 170.29 2aj0 s GLU 70 N -4.53 3.00 0.00 1.68 2.12 -1.26 -5.19 118.70 114.52 2aj0 s GLU 70 Ca 0.67 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2aj0 s GLU 70 Cb -0.23 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.74 2aj0 s GLU 70 CO 0.54 0.31 0.00 0.00 -0.54 0.00 0.00 175.26 175.57