#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 -3.90 3.04 0.00 -1.26 -5.10 120.51 113.29 2aj0 n ALA 2 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2aj0 n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2aj0 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2aj0 n GLU 3 N 0.00 0.20 -2.12 0.00 -0.58 -1.26 -5.13 120.64 111.75 2aj0 n GLU 3 Ca 0.00 -0.75 -0.28 0.00 -0.42 0.00 0.00 57.16 55.71 2aj0 n GLU 3 Cb 0.00 1.21 0.05 0.00 -0.57 0.00 0.00 31.44 32.13 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2aj0 s LYS 4 N -2.02 2.71 -0.04 3.49 0.00 -1.26 -4.24 119.74 118.39 2aj0 s LYS 4 Ca 0.27 0.17 -0.15 0.00 0.00 0.00 0.00 55.97 56.25 2aj0 s LYS 4 Cb -0.01 -2.13 0.03 0.00 0.00 0.00 0.00 37.83 35.72 2aj0 s LYS 4 CO -0.00 -0.99 0.34 0.99 0.00 0.00 0.00 175.35 175.69 2aj0 s THR 5 N -3.23 0.05 0.06 3.79 2.01 0.06 -4.99 115.64 113.38 2aj0 s THR 5 Ca 0.57 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2aj0 s THR 5 Cb -0.11 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 2aj0 s THR 5 CO 0.48 -0.20 -0.16 0.54 -0.69 0.00 0.00 174.62 174.59 2aj0 s VAL 6 N -1.08 1.29 0.03 3.82 0.11 -1.26 -0.36 120.40 122.94 2aj0 s VAL 6 Ca -0.11 -1.21 0.03 0.00 -2.93 0.00 0.00 61.98 57.76 2aj0 s VAL 6 Cb -0.05 -1.18 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 2aj0 s VAL 6 CO 0.04 -0.05 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.35 2aj0 s TYR 7 N -1.02 0.90 -0.16 1.54 1.51 -0.42 -4.17 117.35 115.53 2aj0 s TYR 7 Ca 0.02 -0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 2aj0 s TYR 7 Cb -0.09 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 2aj0 s TYR 7 CO 0.02 -0.01 0.68 1.03 -1.11 0.00 0.00 175.55 176.17 2aj0 s ARG 8 N -0.95 4.28 0.14 -0.62 0.52 0.10 -0.67 118.95 121.75 2aj0 s ARG 8 Ca -0.01 0.75 0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2aj0 s ARG 8 Cb -0.07 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 2aj0 s ARG 8 CO 0.01 -0.19 0.01 0.54 0.02 0.00 0.00 175.30 175.68 2aj0 s VAL 9 N 1.72 3.88 0.19 3.52 0.11 -1.15 -0.31 120.40 128.35 2aj0 s VAL 9 Ca 0.32 -1.24 -0.09 0.00 -2.93 0.00 0.00 61.98 58.05 2aj0 s VAL 9 Cb -0.16 -2.91 -0.01 0.00 -1.53 0.00 0.00 36.38 31.76 2aj0 s VAL 9 CO 0.12 -0.02 0.30 -0.62 -3.33 0.00 0.00 175.10 171.55 2aj0 s ASP 10 N -2.72 0.03 0.00 3.54 2.15 -1.17 -3.91 116.67 114.60 2aj0 s ASP 10 Ca 0.27 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.30 2aj0 s ASP 10 Cb -0.10 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2aj0 s ASP 10 CO 0.19 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.86 2aj0 n GLY 11 N -0.25 2.26 3.80 2.66 0.00 -1.26 -3.94 105.19 108.46 2aj0 n GLY 11 Ca -0.05 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 3.25 -0.45 0.99 0.05 -1.26 -5.03 118.68 116.23 2aj0 s LEU 12 Ca 0.00 1.75 0.07 0.00 0.05 0.00 0.00 54.13 55.99 2aj0 s LEU 12 Cb 0.00 -4.52 0.24 0.00 -2.05 0.00 0.00 46.19 39.87 2aj0 s LEU 12 CO 0.00 -1.48 0.75 -1.20 -0.55 0.00 0.00 176.35 173.87 2aj0 n SER 13 N -2.80 -1.71 -3.65 1.48 7.64 -1.26 -3.74 113.62 109.57 2aj0 n SER 13 Ca 0.08 -3.07 -0.04 0.00 1.01 0.00 0.00 58.87 56.85 2aj0 n SER 13 Cb 0.53 0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 64.55 2aj0 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aj0 h THR 15 N 5.88 0.41 -0.74 0.00 2.02 -1.99 0.48 112.91 118.97 2aj0 h THR 15 Ca -0.20 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 67.00 2aj0 h THR 15 Cb 1.12 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 2aj0 h THR 15 CO 0.12 0.05 0.35 0.78 0.37 0.00 0.00 175.52 177.19 2aj0 h ASN 16 N 0.28 0.42 -0.32 4.18 4.21 -1.99 0.13 115.58 122.50 2aj0 h ASN 16 Ca 0.52 0.08 -0.17 0.00 1.21 0.00 0.00 56.30 57.94 2aj0 h ASN 16 Cb 0.99 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.20 2aj0 h ASN 16 CO -0.58 0.22 -0.46 0.00 -1.29 0.00 0.00 177.43 175.32 2aj0 h ALA 18 N 0.75 0.84 -0.06 0.00 0.00 -0.44 0.16 119.26 120.51 2aj0 h ALA 18 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2aj0 h ALA 18 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2aj0 h ALA 18 CO 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.34 2aj0 h ALA 19 N 1.36 0.08 -0.55 0.00 0.00 -0.52 0.36 119.26 119.99 2aj0 h ALA 19 Ca 0.29 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.19 2aj0 h ALA 19 Cb 0.24 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 2aj0 h ALA 19 CO -0.21 -0.30 -0.09 -0.22 0.00 0.00 0.00 179.25 178.44 2aj0 h LYS 20 N -0.10 0.04 0.47 0.00 1.63 -0.62 -1.44 116.57 116.54 2aj0 h LYS 20 Ca 0.02 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2aj0 h LYS 20 Cb 0.23 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2aj0 h LYS 20 CO -0.00 0.03 -0.33 0.74 -3.45 0.00 0.00 179.45 176.43 2aj0 h PHE 21 N 0.04 -0.90 -0.99 1.91 0.04 -0.29 0.63 116.94 117.39 2aj0 h PHE 21 Ca 0.27 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.12 2aj0 h PHE 21 Cb 0.43 0.33 -0.07 0.00 2.20 0.00 0.00 35.95 38.84 2aj0 h PHE 21 CO -0.41 -0.48 0.64 1.05 -0.60 0.00 0.00 178.31 178.51 2aj0 h GLU 22 N -0.76 1.08 0.14 1.51 -0.00 -0.69 0.15 114.58 116.01 2aj0 h GLU 22 Ca -0.06 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 59.23 2aj0 h GLU 22 Cb 0.62 -0.24 -0.00 0.00 -0.00 0.00 0.00 28.75 29.13 2aj0 h GLU 22 CO 0.03 0.72 -0.09 -0.09 -0.00 0.00 0.00 179.01 179.58 2aj0 h ARG 23 N 1.12 -0.22 -0.65 1.06 2.43 -1.22 0.23 114.38 117.13 2aj0 h ARG 23 Ca 0.45 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.75 2aj0 h ARG 23 Cb 0.25 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.76 2aj0 h ARG 23 CO -0.20 -0.15 0.21 -0.91 -1.51 0.00 0.00 179.97 177.41 2aj0 h ASN 24 N -0.23 0.14 -0.31 -3.80 4.21 0.65 0.44 115.58 116.70 2aj0 h ASN 24 Ca -0.01 0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.56 2aj0 h ASN 24 Cb 0.20 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 2aj0 h ASN 24 CO 0.00 0.07 0.03 0.58 -1.29 0.00 0.00 177.43 176.83 2aj0 h VAL 25 N 0.35 1.24 -0.94 2.81 2.07 -0.41 -2.56 116.25 118.82 2aj0 h VAL 25 Ca 0.34 -0.85 0.14 0.00 0.82 0.00 0.00 66.70 67.15 2aj0 h VAL 25 Cb 0.49 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2aj0 h VAL 25 CO -0.38 0.28 0.60 0.11 0.02 0.00 0.00 177.57 178.20 2aj0 h LYS 26 N 0.34 0.79 0.00 1.57 1.57 0.08 0.29 116.57 121.20 2aj0 h LYS 26 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2aj0 h LYS 26 Cb 0.37 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2aj0 h LYS 26 CO 0.01 0.52 0.00 0.39 -0.57 0.00 0.00 179.45 179.80 2aj0 n GLU 27 N -4.60 0.48 -3.02 3.15 -0.58 0.09 -4.77 120.64 111.39 2aj0 n GLU 27 Ca 0.18 0.01 -0.40 0.00 -0.42 0.00 0.00 57.16 56.54 2aj0 n GLU 27 Cb 0.44 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.06 4.80 -0.06 -3.67 -1.09 0.09 -5.05 121.20 114.16 2aj0 s ILE 28 Ca 0.24 1.55 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 2aj0 s ILE 28 Cb 0.11 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 2aj0 s ILE 28 CO 0.20 0.36 1.24 -1.61 -1.23 0.00 0.00 174.94 173.89 2aj0 s GLU 29 N 0.03 4.33 0.00 2.79 8.01 -1.26 -4.00 118.70 128.59 2aj0 s GLU 29 Ca 0.37 1.71 0.00 0.00 0.01 0.00 0.00 54.97 57.07 2aj0 s GLU 29 Cb -0.20 -3.58 0.00 0.00 -4.31 0.00 0.00 34.13 26.04 2aj0 s GLU 29 CO 0.21 -0.49 0.00 0.41 0.01 0.00 0.00 175.26 175.40 2aj0 n GLY 30 N 3.43 3.53 3.80 -1.39 0.00 -1.26 -4.98 105.19 108.31 2aj0 n GLY 30 Ca 0.12 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.01 3.75 0.00 1.61 0.11 -1.26 -1.24 120.40 123.36 2aj0 s VAL 31 Ca 0.00 0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 59.63 2aj0 s VAL 31 Cb 0.00 -3.23 -0.02 0.00 -1.53 0.00 0.00 36.38 31.60 2aj0 s VAL 31 CO 0.00 -0.70 -0.07 0.41 -3.33 0.00 0.00 175.10 171.41 2aj0 n THR 32 N -3.08 0.86 -4.39 5.04 -1.04 0.66 -4.79 114.28 107.54 2aj0 n THR 32 Ca 0.08 0.17 -0.22 0.00 -2.04 0.00 0.00 64.05 62.04 2aj0 n THR 32 Cb 0.53 -1.67 -0.13 0.00 -1.82 0.00 0.00 70.33 67.25 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 -2.14 1.10 -0.00 -2.82 2.02 0.93 -4.99 118.70 112.80 2aj0 s GLU 33 Ca -0.06 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 53.99 2aj0 s GLU 33 Cb 0.02 -1.21 -0.00 0.00 0.10 0.00 0.00 34.13 33.04 2aj0 s GLU 33 CO 0.09 0.29 -0.03 0.00 0.02 0.00 0.00 175.26 175.63 2aj0 s ALA 34 N -0.98 0.25 -0.24 5.21 0.00 -1.26 0.53 121.76 125.27 2aj0 s ALA 34 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2aj0 s ALA 34 Cb -0.09 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.04 2aj0 s ALA 34 CO 0.02 0.05 -0.06 0.42 0.00 0.00 0.00 175.76 176.20 2aj0 s ILE 35 N -0.14 1.58 -0.17 0.00 1.01 0.52 -4.97 121.20 119.03 2aj0 s ILE 35 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 60.65 59.34 2aj0 s ILE 35 Cb -0.02 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2aj0 s ILE 35 CO -0.00 -0.10 0.02 0.68 0.00 0.00 0.00 174.94 175.54 2aj0 s VAL 36 N 1.37 4.44 -0.54 2.92 -7.23 -1.26 -0.60 120.40 119.51 2aj0 s VAL 36 Ca -0.06 -0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.00 2aj0 s VAL 36 Cb -0.19 -2.98 0.36 0.00 0.56 0.00 0.00 36.38 34.13 2aj0 s VAL 36 CO -0.06 0.47 0.98 0.59 -0.31 0.00 0.00 175.10 176.78 2aj0 n ASN 37 N 3.53 4.43 -4.75 4.85 3.02 0.75 -5.00 115.26 122.08 2aj0 n ASN 37 Ca -0.17 -3.67 -0.41 0.00 -0.03 0.00 0.00 54.58 50.30 2aj0 n ASN 37 Cb 0.52 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.46 2.87 0.00 3.10 0.40 -1.26 -2.79 117.98 116.83 2aj0 s PHE 38 Ca 0.48 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 2aj0 s PHE 38 Cb 0.31 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.90 2aj0 s PHE 38 CO -0.15 -3.07 0.00 0.41 0.70 0.00 0.00 175.22 173.11 2aj0 n GLY 39 N 2.00 2.29 2.68 4.36 0.00 -1.25 -4.75 105.19 110.52 2aj0 n GLY 39 Ca 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.71 -2.00 4.61 0.00 -1.26 -4.52 120.51 115.63 2aj0 n ALA 40 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2aj0 n ALA 40 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 -0.15 0.00 -3.79 0.00 7.64 -1.20 -5.11 113.62 111.01 2aj0 n SER 41 Ca -0.13 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.67 2aj0 n SER 41 Cb 0.72 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.90 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 2.28 1.69 -0.15 1.43 -2.85 -1.12 -2.93 119.74 118.08 2aj0 s LYS 42 Ca 0.00 -0.90 -0.02 0.00 -1.00 0.00 0.00 55.97 54.05 2aj0 s LYS 42 Cb 0.00 0.60 0.05 0.00 -2.06 0.00 0.00 37.83 36.41 2aj0 s LYS 42 CO 0.00 -0.77 0.01 -1.50 0.10 0.00 0.00 175.35 173.19 2aj0 s ILE 43 N -3.86 0.56 0.06 3.79 -1.16 0.16 -0.18 121.20 120.56 2aj0 s ILE 43 Ca 0.10 -0.35 -0.15 0.00 -0.51 0.00 0.00 60.65 59.74 2aj0 s ILE 43 Cb -0.05 -0.91 -0.06 0.00 0.61 0.00 0.00 42.46 42.05 2aj0 s ILE 43 CO 0.04 -0.01 0.47 -0.89 -2.81 0.00 0.00 174.94 171.74 2aj0 s THR 44 N 1.86 4.93 -0.02 4.00 2.01 0.23 -1.30 115.64 127.37 2aj0 s THR 44 Ca 0.01 0.88 0.04 0.00 0.31 0.00 0.00 61.69 62.93 2aj0 s THR 44 Cb -0.15 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2aj0 s THR 44 CO -0.07 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 2aj0 s VAL 45 N -1.20 1.09 -0.11 3.82 1.01 0.51 -0.35 120.40 125.16 2aj0 s VAL 45 Ca 0.29 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2aj0 s VAL 45 Cb -0.17 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.33 2aj0 s VAL 45 CO 0.16 0.31 0.28 -0.89 0.00 0.00 0.00 175.10 174.97 2aj0 s THR 46 N -0.16 -0.03 0.00 3.92 2.01 0.19 -0.76 115.64 120.81 2aj0 s THR 46 Ca 0.02 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2aj0 s THR 46 Cb -0.07 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.02 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 3.92 -0.03 2.71 4.40 0.00 -1.26 -0.05 105.19 114.88 2aj0 n GLY 47 Ca -0.22 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 0.67 -3.83 1.61 0.00 -0.37 -4.53 120.64 114.19 2aj0 n GLU 48 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 57.16 55.59 2aj0 n GLU 48 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 31.44 30.54 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 0.30 -0.55 0.31 4.31 0.00 -1.26 -4.19 121.76 120.69 2aj0 s ALA 49 Ca 0.25 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.82 2aj0 s ALA 49 Cb 0.27 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 24.17 2aj0 s ALA 49 CO -0.13 -0.73 -0.10 -1.12 0.00 0.00 0.00 175.76 173.68 2aj0 s SER 50 N -2.91 3.88 0.49 0.00 0.01 -1.26 -4.85 113.70 109.06 2aj0 s SER 50 Ca 0.12 -1.03 0.22 0.00 1.31 0.00 0.00 55.95 56.57 2aj0 s SER 50 Cb 0.01 -0.43 1.26 0.00 0.21 0.00 0.00 66.02 67.07 2aj0 s SER 50 CO -0.02 -0.10 1.95 -0.29 0.41 0.00 0.00 173.24 175.19 2aj0 h ILE 51 N 2.04 0.73 -0.61 1.44 6.09 -1.99 -2.42 117.51 122.80 2aj0 h ILE 51 Ca -0.42 -0.06 0.14 0.00 -1.37 0.00 0.00 64.86 63.15 2aj0 h ILE 51 Cb 1.25 0.54 -0.11 0.00 0.47 0.00 0.00 36.82 38.97 2aj0 h ILE 51 CO 0.65 0.03 -0.08 0.00 -3.07 0.00 0.00 178.15 175.68 2aj0 n GLN 52 N -4.41 -0.05 0.16 2.19 6.02 -1.26 0.67 117.38 120.69 2aj0 n GLN 52 Ca 0.13 0.93 -0.14 0.00 -0.01 0.00 0.00 57.00 57.91 2aj0 n GLN 52 Cb 0.62 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.33 -0.62 -1.09 1.08 -1.86 0.51 115.11 112.80 2aj0 h GLN 53 Ca 0.32 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.51 2aj0 h GLN 53 Cb 0.58 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 2aj0 h GLN 53 CO -0.60 -0.22 0.26 0.28 -0.95 0.00 0.00 178.83 177.60 2aj0 h VAL 54 N -0.34 1.23 -0.09 -0.54 2.07 0.06 -0.65 116.25 117.99 2aj0 h VAL 54 Ca -0.03 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2aj0 h VAL 54 Cb 0.27 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2aj0 h VAL 54 CO 0.05 0.28 0.05 -0.08 0.02 0.00 0.00 177.57 177.88 2aj0 h GLU 55 N 0.86 0.13 -0.06 1.57 4.81 -0.28 0.27 114.58 121.88 2aj0 h GLU 55 Ca 0.21 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 2aj0 h GLU 55 Cb 0.19 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2aj0 h GLU 55 CO -0.02 0.19 -0.12 0.37 -0.73 0.00 0.00 179.01 178.70 2aj0 h GLN 56 N 0.04 -0.17 -0.45 1.92 4.15 -0.65 0.68 115.11 120.63 2aj0 h GLN 56 Ca 0.03 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.55 2aj0 h GLN 56 Cb 0.10 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.73 2aj0 h GLN 56 CO -0.00 -0.11 -0.26 0.00 -1.93 0.00 0.00 178.83 176.52 2aj0 h ALA 57 N 0.84 -0.00 0.00 3.38 0.00 -0.99 -1.86 119.26 120.63 2aj0 h ALA 57 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2aj0 h ALA 57 Cb 0.27 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2aj0 h ALA 57 CO -0.17 -0.63 0.12 0.78 0.00 0.00 0.00 179.25 179.35 2aj0 h GLY 58 N -0.17 0.00 0.63 0.00 0.00 0.14 -1.54 103.07 102.12 2aj0 h GLY 58 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.62 2aj0 h GLY 58 CO -0.55 0.00 0.60 0.00 0.00 0.00 0.00 176.54 176.60 2aj0 h ALA 59 N 1.75 1.95 -0.57 3.60 0.00 -0.07 0.29 119.26 126.21 2aj0 h ALA 59 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2aj0 h ALA 59 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2aj0 h ALA 59 CO 0.00 -0.76 0.39 0.27 0.00 0.00 0.00 179.25 179.15 2aj0 h PHE 60 N 0.00 0.25 0.00 0.00 -5.15 -1.48 -3.24 116.94 107.32 2aj0 h PHE 60 Ca 0.14 0.01 -0.02 0.00 -0.20 0.00 0.00 57.97 57.90 2aj0 h PHE 60 Cb 1.35 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 37.43 2aj0 h PHE 60 CO 0.00 0.11 -1.13 -1.91 -2.00 0.00 0.00 178.31 173.38 2aj0 n GLU 61 N -4.44 1.94 -1.24 6.09 4.07 0.28 -5.08 120.64 122.26 2aj0 n GLU 61 Ca 0.10 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2aj0 n GLU 61 Cb 0.48 -1.05 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2aj0 n HIS 62 N -1.84 0.00 -1.90 4.31 8.25 0.77 -5.09 115.22 119.72 2aj0 n HIS 62 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2aj0 n HIS 62 Cb 0.32 -2.03 0.06 0.00 1.12 0.00 0.00 29.99 29.46 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 -2.44 2.82 -0.24 2.41 2.01 -1.23 -5.00 118.68 117.00 2aj0 s LEU 63 Ca 0.00 1.04 0.02 0.00 0.01 0.00 0.00 54.13 55.21 2aj0 s LEU 63 Cb 0.00 -3.77 0.05 0.00 0.01 0.00 0.00 46.19 42.48 2aj0 s LEU 63 CO 0.00 -1.46 -0.11 -1.59 1.01 0.00 0.00 176.35 174.20 2aj0 s LYS 64 N -5.40 2.25 -0.14 1.70 0.00 -1.25 -4.96 119.74 111.94 2aj0 s LYS 64 Ca 0.59 -1.19 -0.00 0.00 0.00 0.00 0.00 55.97 55.36 2aj0 s LYS 64 Cb -0.11 -2.77 -0.01 0.00 0.00 0.00 0.00 37.83 34.94 2aj0 s LYS 64 CO 0.51 -0.51 -0.14 0.42 0.00 0.00 0.00 175.35 175.63 2aj0 s ILE 65 N 1.19 2.88 -0.18 3.79 1.01 -1.26 -3.04 121.20 125.58 2aj0 s ILE 65 Ca -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2aj0 s ILE 65 Cb -0.19 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2aj0 s ILE 65 CO -0.06 0.52 -0.06 -0.63 0.00 0.00 0.00 174.94 174.70 2aj0 s ILE 66 N 0.60 3.44 -0.87 2.92 -1.09 0.57 -4.93 121.20 121.84 2aj0 s ILE 66 Ca -0.08 -0.50 -0.25 0.00 -2.23 0.00 0.00 60.65 57.60 2aj0 s ILE 66 Cb -0.16 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 2aj0 s ILE 66 CO 0.03 0.47 1.81 -2.16 -1.23 0.00 0.00 174.94 173.86 2aj0 s PRO 67 N 0.88 2.79 -0.08 2.79 0.04 -1.26 -0.72 135.00 139.45 2aj0 s PRO 67 Ca -0.01 -0.28 -0.29 0.00 0.04 0.00 0.00 61.00 60.45 2aj0 s PRO 67 Cb -0.15 -4.95 -0.07 0.00 0.04 0.00 0.00 34.50 29.37 2aj0 s PRO 67 CO 0.01 -2.99 2.01 -1.83 0.04 0.00 0.00 177.00 174.24 2aj0 s GLU 68 N 6.58 3.77 -1.15 4.56 -1.05 -1.26 -4.92 118.70 125.23 2aj0 s GLU 68 Ca 0.63 2.32 -0.11 0.00 -0.15 0.00 0.00 54.97 57.65 2aj0 s GLU 68 Cb -0.07 -4.22 0.23 0.00 -0.44 0.00 0.00 34.13 29.63 2aj0 s GLU 68 CO 0.02 -1.37 1.26 0.15 0.95 0.00 0.00 175.26 176.27 2aj0 s LYS 69 N 5.11 4.14 0.16 -4.83 1.02 -1.26 -4.94 119.74 119.14 2aj0 s LYS 69 Ca 0.90 -2.89 -0.32 0.00 0.02 0.00 0.00 55.97 53.69 2aj0 s LYS 69 Cb -0.37 -4.80 -0.11 0.00 -0.52 0.00 0.00 37.83 32.03 2aj0 s LYS 69 CO 0.38 -1.50 1.72 -2.00 -0.92 0.00 0.00 175.35 173.03 2aj0 s GLU 70 N 0.14 4.15 0.00 1.68 2.12 -1.26 -5.29 118.70 120.24 2aj0 s GLU 70 Ca 0.36 2.54 0.00 0.00 0.36 0.00 0.00 54.97 58.23 2aj0 s GLU 70 Cb -0.07 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2aj0 s GLU 70 CO -0.04 -0.75 0.00 0.00 -0.54 0.00 0.00 175.26 173.93