#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 2.49 -0.46 -5.12 0.00 -1.26 -4.94 121.76 112.48 2aj0 s ALA 2 Ca 0.00 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 2aj0 s ALA 2 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2aj0 s ALA 2 CO 0.00 -1.21 1.68 -2.00 0.00 0.00 0.00 175.76 174.22 2aj0 s GLU 3 N -3.92 3.19 -0.02 0.00 2.56 -1.26 -4.96 118.70 114.30 2aj0 s GLU 3 Ca 0.69 0.97 0.01 0.00 0.00 0.00 0.00 54.97 56.64 2aj0 s GLU 3 Cb -0.22 -4.20 0.01 0.00 2.00 0.00 0.00 34.13 31.72 2aj0 s GLU 3 CO 0.39 -2.04 -0.05 -1.59 -0.56 0.00 0.00 175.26 171.41 2aj0 s LYS 4 N 5.85 0.52 0.04 4.30 -2.85 -1.26 -1.16 119.74 125.17 2aj0 s LYS 4 Ca 0.68 -0.14 -0.13 0.00 -1.00 0.00 0.00 55.97 55.38 2aj0 s LYS 4 Cb -0.16 -0.53 0.02 0.00 -2.06 0.00 0.00 37.83 35.09 2aj0 s LYS 4 CO 0.29 0.04 0.29 0.99 0.10 0.00 0.00 175.35 177.06 2aj0 s THR 5 N 0.26 0.08 -0.01 3.79 2.01 -0.04 -5.00 115.64 116.73 2aj0 s THR 5 Ca -0.03 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2aj0 s THR 5 Cb -0.07 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2aj0 s THR 5 CO -0.00 -0.38 -0.07 0.54 -0.69 0.00 0.00 174.62 174.01 2aj0 s VAL 6 N -2.44 0.58 -0.03 3.82 0.11 -1.26 -0.63 120.40 120.55 2aj0 s VAL 6 Ca -0.06 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 2aj0 s VAL 6 Cb -0.01 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.34 2aj0 s VAL 6 CO -0.03 0.16 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.46 2aj0 s TYR 7 N -0.18 1.27 0.02 1.54 1.51 -0.11 -4.21 117.35 117.19 2aj0 s TYR 7 Ca 0.03 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 2aj0 s TYR 7 Cb -0.03 -0.86 -0.05 0.00 -0.11 0.00 0.00 41.96 40.91 2aj0 s TYR 7 CO -0.00 -0.10 0.78 0.50 -1.11 0.00 0.00 175.55 175.62 2aj0 s ARG 8 N -0.01 4.49 0.06 -0.62 3.52 0.57 -0.61 118.95 126.36 2aj0 s ARG 8 Ca -0.01 1.07 0.09 0.00 -0.13 0.00 0.00 55.73 56.76 2aj0 s ARG 8 Cb -0.08 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 2aj0 s ARG 8 CO 0.01 0.20 -0.26 0.54 -0.81 0.00 0.00 175.30 174.98 2aj0 s VAL 9 N 0.24 2.11 0.03 7.11 0.11 -1.23 -0.58 120.40 128.18 2aj0 s VAL 9 Ca 0.40 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2aj0 s VAL 9 Cb -0.20 -1.82 -0.02 0.00 -1.53 0.00 0.00 36.38 32.81 2aj0 s VAL 9 CO 0.23 0.29 -0.04 -1.81 -3.33 0.00 0.00 175.10 170.44 2aj0 s ASP 10 N -1.40 0.35 0.00 3.54 1.01 -1.26 -4.34 116.67 114.57 2aj0 s ASP 10 Ca 0.12 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.83 2aj0 s ASP 10 Cb -0.10 0.10 0.00 0.00 1.01 0.00 0.00 42.92 43.93 2aj0 s ASP 10 CO 0.03 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.71 2aj0 n GLY 11 N 1.47 1.81 3.61 0.21 0.00 -1.26 -3.80 105.19 107.23 2aj0 n GLY 11 Ca -0.23 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 1.75 -0.46 0.99 -0.00 -1.26 -5.04 118.68 114.66 2aj0 s LEU 12 Ca 0.00 1.65 0.06 0.00 -0.00 0.00 0.00 54.13 55.83 2aj0 s LEU 12 Cb 0.00 -3.83 0.28 0.00 -0.00 0.00 0.00 46.19 42.65 2aj0 s LEU 12 CO 0.00 -3.44 1.04 -1.54 -0.00 0.00 0.00 176.35 172.40 2aj0 n SER 13 N -4.42 -2.49 -3.64 1.48 3.41 -1.26 -4.55 113.62 102.14 2aj0 n SER 13 Ca 0.06 -3.35 -0.10 0.00 -0.26 0.00 0.00 58.87 55.22 2aj0 n SER 13 Cb 0.54 1.80 -0.07 0.00 -0.26 0.00 0.00 64.21 66.22 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 4.58 0.70 -0.81 0.00 1.35 -1.99 -1.17 112.91 115.56 2aj0 h THR 15 Ca -0.30 -0.06 0.15 0.00 -0.55 0.00 0.00 66.41 65.66 2aj0 h THR 15 Cb 1.20 0.51 -0.15 0.00 -1.73 0.00 0.00 68.15 67.98 2aj0 h THR 15 CO 0.12 0.03 -0.25 0.78 -0.25 0.00 0.00 175.52 175.96 2aj0 h ASN 16 N 0.17 -0.91 -0.33 5.36 2.35 -1.98 0.23 115.58 120.47 2aj0 h ASN 16 Ca 0.23 0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 56.20 2aj0 h ASN 16 Cb 0.32 0.55 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2aj0 h ASN 16 CO -0.34 -0.28 0.10 0.00 -1.65 0.00 0.00 177.43 175.26 2aj0 h ALA 18 N 0.94 0.59 -0.09 0.00 0.00 -0.25 0.12 119.26 120.57 2aj0 h ALA 18 Ca 0.11 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2aj0 h ALA 18 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2aj0 h ALA 18 CO -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.04 2aj0 h ALA 19 N 1.36 0.12 -0.44 0.00 0.00 -0.37 0.54 119.26 120.48 2aj0 h ALA 19 Ca 0.25 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2aj0 h ALA 19 Cb 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2aj0 h ALA 19 CO -0.28 -0.35 0.05 -0.22 0.00 0.00 0.00 179.25 178.45 2aj0 h LYS 20 N 0.06 0.17 0.68 0.00 1.63 -0.63 -1.85 116.57 116.62 2aj0 h LYS 20 Ca 0.03 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2aj0 h LYS 20 Cb 0.07 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2aj0 h LYS 20 CO -0.01 0.11 -0.50 0.74 -3.45 0.00 0.00 179.45 176.35 2aj0 h PHE 21 N 0.17 -1.35 -0.90 1.91 0.04 -0.20 0.79 116.94 117.40 2aj0 h PHE 21 Ca 0.22 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.05 2aj0 h PHE 21 Cb 0.29 0.50 -0.07 0.00 2.20 0.00 0.00 35.95 38.88 2aj0 h PHE 21 CO -0.24 -0.71 0.57 1.05 -0.60 0.00 0.00 178.31 178.37 2aj0 h GLU 22 N -1.13 0.99 -0.16 1.51 4.11 -0.77 -0.10 114.58 119.03 2aj0 h GLU 22 Ca -0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2aj0 h GLU 22 Cb 0.93 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2aj0 h GLU 22 CO 0.04 0.65 0.10 -0.09 0.07 0.00 0.00 179.01 179.78 2aj0 h ARG 23 N 1.01 0.21 -0.47 1.06 2.43 -1.16 0.21 114.38 117.68 2aj0 h ARG 23 Ca 0.40 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 2aj0 h ARG 23 Cb 0.20 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.61 2aj0 h ARG 23 CO -0.18 0.14 -0.21 -0.91 -1.51 0.00 0.00 179.97 177.30 2aj0 h ASN 24 N 0.21 -0.72 -0.23 -3.80 4.21 0.27 0.97 115.58 116.48 2aj0 h ASN 24 Ca 0.06 0.17 0.01 0.00 1.21 0.00 0.00 56.30 57.75 2aj0 h ASN 24 Cb -0.02 0.40 -0.02 0.00 -1.12 0.00 0.00 38.32 37.56 2aj0 h ASN 24 CO -0.01 -0.24 0.12 0.58 -1.29 0.00 0.00 177.43 176.59 2aj0 h VAL 25 N -0.11 1.00 -0.87 2.81 2.07 -0.33 -2.20 116.25 118.62 2aj0 h VAL 25 Ca 0.22 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.79 2aj0 h VAL 25 Cb 0.45 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2aj0 h VAL 25 CO -0.54 0.05 0.56 0.11 0.02 0.00 0.00 177.57 177.78 2aj0 h LYS 26 N 0.26 0.68 0.00 1.57 1.57 0.23 0.26 116.57 121.13 2aj0 h LYS 26 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2aj0 h LYS 26 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2aj0 h LYS 26 CO -0.06 0.45 0.00 0.93 -0.57 0.00 0.00 179.45 180.20 2aj0 h GLU 27 N 0.70 0.00 -6.32 3.15 5.08 -0.19 -3.42 114.58 113.58 2aj0 h GLU 27 Ca 0.43 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.22 2aj0 h GLU 27 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2aj0 h GLU 27 CO -0.19 0.00 0.93 0.42 -1.00 0.00 0.00 179.01 179.17 2aj0 s ILE 28 N -3.77 4.25 -1.43 3.13 1.01 0.08 -4.91 121.20 119.56 2aj0 s ILE 28 Ca -0.01 1.43 -0.09 0.00 0.00 0.00 0.00 60.65 61.98 2aj0 s ILE 28 Cb 0.10 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 2aj0 s ILE 28 CO 0.43 -0.44 2.70 -0.62 0.00 0.00 0.00 174.94 177.01 2aj0 n GLU 29 N 7.12 3.22 0.00 2.79 -0.58 -1.26 -2.91 120.64 129.02 2aj0 n GLU 29 Ca 0.14 -2.03 0.00 0.00 -0.42 0.00 0.00 57.16 54.84 2aj0 n GLU 29 Cb 0.47 -2.74 0.00 0.00 -0.57 0.00 0.00 31.44 28.59 2aj0 n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aj0 n GLY 30 N 3.67 0.16 3.94 0.62 0.00 -1.26 -5.13 105.19 107.18 2aj0 n GLY 30 Ca 0.68 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.00 2.19 0.11 1.61 0.11 -1.15 -1.94 120.40 120.33 2aj0 s VAL 31 Ca 0.00 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2aj0 s VAL 31 Cb 0.00 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 2aj0 s VAL 31 CO 0.00 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.18 2aj0 n THR 32 N -3.08 1.06 -5.05 5.04 -1.04 0.50 -4.75 114.28 106.96 2aj0 n THR 32 Ca 0.10 0.35 -0.29 0.00 -2.04 0.00 0.00 64.05 62.17 2aj0 n THR 32 Cb 0.60 -1.46 -0.16 0.00 -1.82 0.00 0.00 70.33 67.49 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 -1.93 2.26 -0.09 -2.82 2.02 0.11 -4.98 118.70 113.26 2aj0 s GLU 33 Ca 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.25 2aj0 s GLU 33 Cb 0.00 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.35 2aj0 s GLU 33 CO 0.00 0.28 -0.13 0.00 0.02 0.00 0.00 175.26 175.43 2aj0 s ALA 34 N 0.03 1.48 -0.50 5.21 0.00 -1.26 0.63 121.76 127.35 2aj0 s ALA 34 Ca -0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 2aj0 s ALA 34 Cb -0.13 -0.75 0.13 0.00 0.00 0.00 0.00 23.12 22.36 2aj0 s ALA 34 CO 0.04 -0.07 0.29 0.42 0.00 0.00 0.00 175.76 176.44 2aj0 s ILE 35 N 1.00 3.30 0.05 0.00 1.09 -0.29 -4.97 121.20 121.38 2aj0 s ILE 35 Ca -0.07 -2.59 -0.15 0.00 -1.10 0.00 0.00 60.65 56.74 2aj0 s ILE 35 Cb -0.15 -3.23 -0.06 0.00 -1.06 0.00 0.00 42.46 37.96 2aj0 s ILE 35 CO -0.01 -0.77 0.47 0.68 -0.10 0.00 0.00 174.94 175.22 2aj0 s VAL 36 N 0.48 4.93 -0.35 2.92 -7.23 -1.26 -0.92 120.40 118.96 2aj0 s VAL 36 Ca 0.13 0.90 0.11 0.00 -1.81 0.00 0.00 61.98 61.31 2aj0 s VAL 36 Cb -0.22 -3.76 0.45 0.00 0.56 0.00 0.00 36.38 33.41 2aj0 s VAL 36 CO -0.04 0.48 1.09 0.59 -0.31 0.00 0.00 175.10 176.92 2aj0 n ASN 37 N 1.52 3.55 -4.68 4.85 3.02 0.39 -4.96 115.26 118.95 2aj0 n ASN 37 Ca -0.11 -3.25 -0.49 0.00 -0.03 0.00 0.00 54.58 50.70 2aj0 n ASN 37 Cb 0.52 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.45 2.25 0.00 3.10 3.72 -1.25 -3.41 117.46 121.41 2aj0 n PHE 38 Ca 0.29 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 2aj0 n PHE 38 Cb 0.79 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 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 4.06 1.46 1.66 1.37 0.00 -1.26 -4.64 105.19 107.83 2aj0 n GLY 39 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 2.61 -2.00 4.61 0.00 -1.25 -4.68 120.51 119.80 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 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.62 0.00 -3.80 0.00 7.64 -1.22 -5.10 113.62 110.52 2aj0 n SER 41 Ca -0.20 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 2aj0 n SER 41 Cb 0.72 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 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 2.14 1.62 -0.20 1.43 0.00 -1.24 -3.53 119.74 119.96 2aj0 s LYS 42 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 55.97 55.04 2aj0 s LYS 42 Cb 0.00 0.58 0.01 0.00 0.00 0.00 0.00 37.83 38.42 2aj0 s LYS 42 CO 0.00 -0.72 -0.15 -1.50 0.00 0.00 0.00 175.35 172.98 2aj0 s ILE 43 N -3.90 2.44 0.02 3.79 -1.16 0.22 -0.46 121.20 122.15 2aj0 s ILE 43 Ca 0.11 -0.85 -0.07 0.00 -0.51 0.00 0.00 60.65 59.33 2aj0 s ILE 43 Cb -0.04 -2.08 -0.05 0.00 0.61 0.00 0.00 42.46 40.91 2aj0 s ILE 43 CO 0.03 0.48 0.30 -0.89 -2.81 0.00 0.00 174.94 172.04 2aj0 s THR 44 N 1.34 5.26 -0.02 4.00 2.01 -0.09 -0.94 115.64 127.20 2aj0 s THR 44 Ca 0.05 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.31 2aj0 s THR 44 Cb -0.14 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2aj0 s THR 44 CO -0.10 0.35 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 2aj0 s VAL 45 N -1.32 0.99 -0.08 3.82 1.01 0.20 -1.14 120.40 123.88 2aj0 s VAL 45 Ca 0.29 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 2aj0 s VAL 45 Cb -0.13 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2aj0 s VAL 45 CO 0.17 0.29 0.20 -0.89 0.00 0.00 0.00 175.10 174.87 2aj0 s THR 46 N -0.18 -0.02 0.00 3.92 2.01 0.21 -0.86 115.64 120.71 2aj0 s THR 46 Ca 0.03 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2aj0 s THR 46 Cb -0.06 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.14 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 3.67 -0.21 2.69 4.40 0.00 -0.31 0.06 105.19 115.48 2aj0 n GLY 47 Ca -0.20 0.10 -0.06 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 0.94 -4.15 1.61 2.13 -0.82 -4.23 120.64 116.13 2aj0 n GLU 48 Ca 0.00 -1.54 -0.13 0.00 0.66 0.00 0.00 57.16 56.15 2aj0 n GLU 48 Cb 0.00 -0.04 -0.07 0.00 0.27 0.00 0.00 31.44 31.60 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 0.16 0.94 0.22 4.31 0.00 -1.23 -4.60 121.76 121.55 2aj0 s ALA 49 Ca 0.17 -1.57 -0.00 0.00 0.00 0.00 0.00 51.96 50.56 2aj0 s ALA 49 Cb 0.31 1.29 -0.04 0.00 0.00 0.00 0.00 23.12 24.68 2aj0 s ALA 49 CO -0.07 -0.70 0.11 -1.12 0.00 0.00 0.00 175.76 173.98 2aj0 s SER 50 N -3.19 0.55 0.30 0.00 0.01 -1.26 -4.82 113.70 105.29 2aj0 s SER 50 Ca 0.34 -1.38 0.05 0.00 1.31 0.00 0.00 55.95 56.28 2aj0 s SER 50 Cb 0.03 0.29 0.74 0.00 0.21 0.00 0.00 66.02 67.29 2aj0 s SER 50 CO 0.16 -0.79 1.76 -0.29 0.41 0.00 0.00 173.24 174.49 2aj0 h ILE 51 N 2.54 0.65 -0.73 1.44 -0.00 -1.98 -3.00 117.51 116.44 2aj0 h ILE 51 Ca -0.37 -0.23 0.15 0.00 -0.00 0.00 0.00 64.86 64.41 2aj0 h ILE 51 Cb 1.25 -0.08 -0.14 0.00 -0.00 0.00 0.00 36.82 37.85 2aj0 h ILE 51 CO 0.56 0.12 -0.17 0.00 -0.00 0.00 0.00 178.15 178.66 2aj0 n GLN 52 N -4.83 -0.07 -0.07 2.19 3.00 -1.26 0.85 117.38 117.19 2aj0 n GLN 52 Ca 0.23 1.14 -0.13 0.00 -0.01 0.00 0.00 57.00 58.23 2aj0 n GLN 52 Cb 0.60 -1.71 -0.06 0.00 0.00 0.00 0.00 30.24 29.08 2aj0 n GLN 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 2aj0 h GLN 53 N 0.00 0.46 -0.55 -1.09 4.20 -1.97 -2.66 115.11 113.49 2aj0 h GLN 53 Ca 0.36 -0.21 0.07 0.00 0.06 0.00 0.00 58.65 58.93 2aj0 h GLN 53 Cb 0.56 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 2aj0 h GLN 53 CO -0.75 0.76 0.37 0.28 -0.67 0.00 0.00 178.83 178.82 2aj0 h VAL 54 N 0.15 0.95 0.74 -0.54 2.07 0.32 -1.44 116.25 118.51 2aj0 h VAL 54 Ca 0.04 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2aj0 h VAL 54 Cb 0.64 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2aj0 h VAL 54 CO 0.04 0.08 -0.36 -0.08 0.02 0.00 0.00 177.57 177.27 2aj0 h GLU 55 N 0.46 -0.96 -0.49 1.57 4.22 0.22 0.24 114.58 119.83 2aj0 h GLU 55 Ca 0.25 0.07 0.08 0.00 0.08 0.00 0.00 59.36 59.83 2aj0 h GLU 55 Cb 0.38 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2aj0 h GLU 55 CO -0.07 -0.64 0.11 0.37 -2.18 0.00 0.00 179.01 176.60 2aj0 h GLN 56 N -1.00 0.25 -0.29 1.92 -0.00 -1.13 0.13 115.11 115.00 2aj0 h GLN 56 Ca -0.10 -0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.60 2aj0 h GLN 56 Cb 0.77 -0.06 -0.07 0.00 0.00 0.00 0.00 27.48 28.12 2aj0 h GLN 56 CO 0.17 0.16 -0.20 0.00 0.00 0.00 0.00 178.83 178.96 2aj0 h ALA 57 N 1.38 -0.01 0.00 3.38 0.00 -1.01 -0.93 119.26 122.07 2aj0 h ALA 57 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2aj0 h ALA 57 Cb 0.32 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2aj0 h ALA 57 CO -0.31 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 178.75 2aj0 n GLY 58 N -1.36 -0.61 0.38 0.00 0.00 0.83 -1.93 105.19 102.50 2aj0 n GLY 58 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.19 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 2.13 1.94 -0.83 4.61 0.00 0.26 0.37 119.26 127.74 2aj0 h ALA 59 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 2aj0 h ALA 59 Cb 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2aj0 h ALA 59 CO 0.00 -0.67 0.58 0.27 0.00 0.00 0.00 179.25 179.43 2aj0 h PHE 60 N 0.00 0.23 0.00 0.00 -5.15 -1.59 -3.16 116.94 107.27 2aj0 h PHE 60 Ca 0.15 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 2aj0 h PHE 60 Cb 1.16 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 37.26 2aj0 h PHE 60 CO 0.00 0.06 -0.02 -1.91 -2.00 0.00 0.00 178.31 174.44 2aj0 n GLU 61 N -4.39 0.44 -3.25 6.09 2.13 0.24 -5.08 120.64 116.83 2aj0 n GLU 61 Ca 0.17 -0.68 -0.10 0.00 0.66 0.00 0.00 57.16 57.21 2aj0 n GLU 61 Cb 0.79 -0.58 0.03 0.00 0.27 0.00 0.00 31.44 31.94 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 -0.08 -2.63 -0.56 4.31 8.25 0.10 -4.91 115.22 119.70 2aj0 n HIS 62 Ca 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 57.72 58.41 2aj0 n HIS 62 Cb 0.47 -3.94 0.00 0.00 1.12 0.00 0.00 29.99 27.64 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 -2.56 0.00 -2.84 2.41 7.99 -1.23 -5.01 117.00 115.75 2aj0 n LEU 63 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.83 2aj0 n LEU 63 Cb 0.56 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.93 2aj0 n LEU 63 CO 0.57 -0.44 0.18 2.29 -1.51 0.00 0.00 177.39 178.48 2aj0 n LYS 64 N -0.74 0.94 -2.73 3.23 0.00 -1.25 -5.05 118.16 112.55 2aj0 n LYS 64 Ca 0.00 -2.20 -0.40 0.00 -0.00 0.00 0.00 58.31 55.70 2aj0 n LYS 64 Cb 0.00 -1.24 -0.05 0.00 -0.00 0.00 0.00 35.03 33.73 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 -0.17 4.23 -0.03 0.58 1.01 -1.26 -4.43 121.20 121.13 2aj0 s ILE 65 Ca 0.28 2.07 0.04 0.00 0.00 0.00 0.00 60.65 63.04 2aj0 s ILE 65 Cb 0.28 -4.32 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 2aj0 s ILE 65 CO -0.10 0.42 -0.16 -0.63 0.00 0.00 0.00 174.94 174.47 2aj0 s ILE 66 N -0.70 1.31 -1.06 2.92 1.01 0.25 -4.93 121.20 120.00 2aj0 s ILE 66 Ca 0.44 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 60.18 2aj0 s ILE 66 Cb -0.25 -1.12 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 2aj0 s ILE 66 CO 0.31 0.38 2.02 -2.16 0.00 0.00 0.00 174.94 175.49 2aj0 s PRO 67 N -0.02 2.18 -0.47 2.79 0.04 -1.26 -0.31 135.00 137.94 2aj0 s PRO 67 Ca -0.02 -0.66 -0.46 0.00 0.04 0.00 0.00 61.00 59.90 2aj0 s PRO 67 Cb -0.10 -5.11 -0.20 0.00 0.04 0.00 0.00 34.50 29.14 2aj0 s PRO 67 CO 0.01 -4.16 1.60 -1.91 0.04 0.00 0.00 177.00 172.58 2aj0 n GLU 68 N 8.46 0.09 -0.03 4.56 2.13 -1.26 -4.88 120.64 129.70 2aj0 n GLU 68 Ca 0.43 0.03 -0.07 0.00 0.66 0.00 0.00 57.16 58.21 2aj0 n GLU 68 Cb 0.46 -1.55 -0.02 0.00 0.27 0.00 0.00 31.44 30.60 2aj0 n GLU 68 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2aj0 n LYS 69 N 4.06 0.23 -4.07 5.31 3.00 -1.26 -4.92 118.16 120.52 2aj0 n LYS 69 Ca 0.30 0.10 -0.12 0.00 -0.00 0.00 0.00 58.31 58.59 2aj0 n LYS 69 Cb -0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 35.03 33.97 2aj0 n LYS 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2aj0 s GLU 70 N -2.32 0.54 0.00 1.64 2.12 -1.26 -5.24 118.70 114.18 2aj0 s GLU 70 Ca -0.14 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.35 2aj0 s GLU 70 Cb 0.04 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.23 2aj0 s GLU 70 CO 0.19 0.02 0.00 0.00 -0.54 0.00 0.00 175.26 174.93