#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 -3.20 3.17 0.00 -1.26 -4.80 120.51 114.42 2aj0 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2aj0 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 7.64 -0.78 -3.85 0.00 4.71 -1.26 -4.91 120.64 122.18 2aj0 n GLU 3 Ca 0.00 -0.39 -0.14 0.00 -0.01 0.00 0.00 57.16 56.62 2aj0 n GLU 3 Cb 0.00 0.69 -0.15 0.00 -1.01 0.00 0.00 31.44 30.97 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 -4.03 0.06 0.06 3.49 -2.85 -1.26 -1.40 119.74 113.81 2aj0 s LYS 4 Ca 0.00 0.09 -0.13 0.00 -1.00 0.00 0.00 55.97 54.92 2aj0 s LYS 4 Cb 0.00 -0.23 0.02 0.00 -2.06 0.00 0.00 37.83 35.56 2aj0 s LYS 4 CO 0.00 -0.10 0.30 0.99 0.10 0.00 0.00 175.35 176.65 2aj0 s THR 5 N 0.67 0.09 -0.00 3.79 2.01 0.08 -5.00 115.64 117.27 2aj0 s THR 5 Ca -0.06 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.22 2aj0 s THR 5 Cb -0.09 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 2aj0 s THR 5 CO -0.02 -0.41 -0.04 0.54 -0.69 0.00 0.00 174.62 174.01 2aj0 s VAL 6 N -2.96 0.28 0.05 3.82 0.11 -1.26 -0.53 120.40 119.91 2aj0 s VAL 6 Ca -0.02 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.95 2aj0 s VAL 6 Cb 0.01 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2aj0 s VAL 6 CO -0.06 0.08 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.28 2aj0 s TYR 7 N -0.05 1.76 -0.14 1.54 1.51 -0.15 -4.38 117.35 117.43 2aj0 s TYR 7 Ca 0.01 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.44 2aj0 s TYR 7 Cb -0.02 -1.03 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2aj0 s TYR 7 CO -0.00 0.11 0.79 0.50 -1.11 0.00 0.00 175.55 175.83 2aj0 s ARG 8 N -1.30 4.33 -0.10 -0.62 3.52 0.70 -0.30 118.95 125.17 2aj0 s ARG 8 Ca 0.07 0.96 0.02 0.00 -0.13 0.00 0.00 55.73 56.65 2aj0 s ARG 8 Cb -0.09 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2aj0 s ARG 8 CO 0.02 -0.23 -0.17 0.54 -0.81 0.00 0.00 175.30 174.66 2aj0 s VAL 9 N 1.80 2.75 0.21 7.11 0.11 -1.00 -0.63 120.40 130.74 2aj0 s VAL 9 Ca 0.38 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2aj0 s VAL 9 Cb -0.17 -2.10 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 2aj0 s VAL 9 CO 0.14 0.55 0.05 -1.81 -3.33 0.00 0.00 175.10 170.70 2aj0 s ASP 10 N 0.08 1.12 0.00 3.54 1.01 -1.26 -3.90 116.67 117.26 2aj0 s ASP 10 Ca -0.07 -1.27 0.00 0.00 0.71 0.00 0.00 52.55 51.92 2aj0 s ASP 10 Cb -0.15 0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.93 2aj0 s ASP 10 CO 0.05 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.39 2aj0 n GLY 11 N -0.32 2.92 3.58 0.21 0.00 -1.26 -3.75 105.19 106.55 2aj0 n GLY 11 Ca -0.04 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 2aj0 n GLY 11 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2aj0 n LEU 12 N 0.00 1.76 -2.67 0.99 -0.00 -1.26 -5.03 117.00 110.79 2aj0 n LEU 12 Ca 0.00 0.31 -0.05 0.00 -0.00 0.00 0.00 56.01 56.27 2aj0 n LEU 12 Cb 0.00 -1.37 0.03 0.00 -0.00 0.00 0.00 43.42 42.08 2aj0 n LEU 12 CO 0.00 -2.66 0.60 -1.54 -0.00 0.00 0.00 177.39 173.79 2aj0 n SER 13 N -3.62 -1.36 -3.60 1.45 3.41 -1.26 -4.77 113.62 103.87 2aj0 n SER 13 Ca 0.09 -1.91 -0.15 0.00 -0.26 0.00 0.00 58.87 56.65 2aj0 n SER 13 Cb 0.53 1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 65.46 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 3.66 1.14 -0.97 0.00 2.02 -1.99 0.87 112.91 117.64 2aj0 h THR 15 Ca -0.28 -0.42 0.11 0.00 0.77 0.00 0.00 66.41 66.59 2aj0 h THR 15 Cb 1.16 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 68.81 2aj0 h THR 15 CO 0.15 0.12 0.60 -0.55 0.37 0.00 0.00 175.52 176.21 2aj0 h ASN 16 N -0.08 0.89 -0.49 4.18 7.08 -1.99 0.87 115.58 126.06 2aj0 h ASN 16 Ca 0.02 0.04 -0.05 0.00 -3.08 0.00 0.00 56.30 53.23 2aj0 h ASN 16 Cb 0.17 -0.14 -0.02 0.00 -2.08 0.00 0.00 38.32 36.25 2aj0 h ASN 16 CO -0.00 0.49 0.12 0.00 -2.08 0.00 0.00 177.43 175.96 2aj0 h ALA 18 N 0.99 0.46 0.15 0.00 0.00 0.54 0.13 119.26 121.52 2aj0 h ALA 18 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2aj0 h ALA 18 Cb 0.33 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2aj0 h ALA 18 CO 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 179.25 178.80 2aj0 h ALA 19 N 1.43 -0.20 -0.76 0.00 0.00 -0.55 0.38 119.26 119.57 2aj0 h ALA 19 Ca 0.24 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.26 2aj0 h ALA 19 Cb 0.36 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2aj0 h ALA 19 CO -0.40 -0.60 0.24 -0.22 0.00 0.00 0.00 179.25 178.27 2aj0 h LYS 20 N -0.22 0.33 0.66 0.00 1.63 -0.41 -0.90 116.57 117.66 2aj0 h LYS 20 Ca -0.02 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2aj0 h LYS 20 Cb 0.17 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2aj0 h LYS 20 CO 0.03 0.22 -0.32 0.35 -3.45 0.00 0.00 179.45 176.28 2aj0 h PHE 21 N 0.34 -0.83 -0.69 1.91 3.57 -0.11 0.60 116.94 121.74 2aj0 h PHE 21 Ca 0.43 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.03 2aj0 h PHE 21 Cb 0.71 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.64 2aj0 h PHE 21 CO -0.22 -0.48 0.25 1.05 -2.23 0.00 0.00 178.31 176.68 2aj0 h GLU 22 N -1.13 0.38 0.85 1.11 -0.00 -0.64 -0.19 114.58 114.97 2aj0 h GLU 22 Ca -0.09 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.36 59.20 2aj0 h GLU 22 Cb 0.72 -0.09 0.01 0.00 -0.00 0.00 0.00 28.75 29.39 2aj0 h GLU 22 CO 0.15 0.25 -0.41 -0.09 -0.00 0.00 0.00 179.01 178.92 2aj0 h ARG 23 N 0.39 -1.10 -0.61 1.06 2.43 -1.16 0.21 114.38 115.61 2aj0 h ARG 23 Ca 0.37 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.74 2aj0 h ARG 23 Cb 0.54 0.25 -0.10 0.00 -0.42 0.00 0.00 29.97 30.24 2aj0 h ARG 23 CO -0.39 -0.73 0.01 -0.91 -1.51 0.00 0.00 179.97 176.45 2aj0 h ASN 24 N -1.22 -0.25 -0.17 -3.80 4.21 -0.37 0.16 115.58 114.14 2aj0 h ASN 24 Ca -0.12 0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 2aj0 h ASN 24 Cb 0.88 0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 2aj0 h ASN 24 CO 0.19 -0.10 0.10 0.58 -1.29 0.00 0.00 177.43 176.91 2aj0 h VAL 25 N 0.12 1.07 -0.77 2.81 2.07 -0.91 -2.61 116.25 118.03 2aj0 h VAL 25 Ca 0.32 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.77 2aj0 h VAL 25 Cb 0.51 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 2aj0 h VAL 25 CO -0.51 0.07 0.50 0.11 0.02 0.00 0.00 177.57 177.75 2aj0 h LYS 26 N 0.20 0.65 0.00 1.57 1.57 0.12 0.45 116.57 121.13 2aj0 h LYS 26 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2aj0 h LYS 26 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2aj0 h LYS 26 CO -0.01 0.43 0.00 0.39 -0.57 0.00 0.00 179.45 179.69 2aj0 n GLU 27 N -4.50 0.02 -2.54 3.15 1.02 0.37 -4.70 120.64 113.46 2aj0 n GLU 27 Ca 0.13 0.22 -0.43 0.00 -0.02 0.00 0.00 57.16 57.05 2aj0 n GLU 27 Cb 0.34 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2aj0 n GLU 27 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2aj0 s ILE 28 N -2.97 4.14 -0.98 -3.67 -1.09 0.15 -4.93 121.20 111.85 2aj0 s ILE 28 Ca 0.08 1.18 -0.25 0.00 -2.23 0.00 0.00 60.65 59.43 2aj0 s ILE 28 Cb 0.11 -4.49 -0.12 0.00 -1.58 0.00 0.00 42.46 36.38 2aj0 s ILE 28 CO 0.29 -0.91 2.09 -1.61 -1.23 0.00 0.00 174.94 173.57 2aj0 s GLU 29 N 4.53 2.03 0.00 2.79 0.41 -1.26 -2.54 118.70 124.65 2aj0 s GLU 29 Ca 0.51 -0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 2aj0 s GLU 29 Cb -0.09 -5.02 0.00 0.00 -1.78 0.00 0.00 34.13 27.24 2aj0 s GLU 29 CO 0.31 -4.22 0.00 0.41 -0.49 0.00 0.00 175.26 171.27 2aj0 n GLY 30 N 6.45 0.36 3.92 -1.39 0.00 -1.26 -5.09 105.19 108.17 2aj0 n GLY 30 Ca 0.43 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 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 5.28 -0.13 1.61 0.11 -1.05 -0.89 120.40 125.32 2aj0 s VAL 31 Ca 0.00 -0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 2aj0 s VAL 31 Cb 0.00 -3.66 -0.06 0.00 -1.53 0.00 0.00 36.38 31.14 2aj0 s VAL 31 CO 0.00 0.03 -0.24 0.41 -3.33 0.00 0.00 175.10 171.96 2aj0 n THR 32 N -0.03 1.27 -4.65 5.04 -1.04 0.62 -4.88 114.28 110.62 2aj0 n THR 32 Ca -0.04 0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 2aj0 n THR 32 Cb 0.52 -1.97 -0.17 0.00 -1.82 0.00 0.00 70.33 66.90 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 -2.51 2.80 -0.02 -2.82 2.02 0.95 -5.00 118.70 114.12 2aj0 s GLU 33 Ca -0.23 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.02 2aj0 s GLU 33 Cb 0.06 -2.27 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 2aj0 s GLU 33 CO 0.31 -0.02 -0.10 0.00 0.02 0.00 0.00 175.26 175.48 2aj0 s ALA 34 N 0.83 0.90 -0.21 5.21 0.00 -1.26 0.50 121.76 127.73 2aj0 s ALA 34 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2aj0 s ALA 34 Cb -0.15 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.72 2aj0 s ALA 34 CO -0.01 0.17 -0.02 0.42 0.00 0.00 0.00 175.76 176.31 2aj0 s ILE 35 N 0.07 1.10 -0.40 0.00 1.01 -0.18 -4.98 121.20 117.83 2aj0 s ILE 35 Ca -0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 2aj0 s ILE 35 Cb -0.08 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2aj0 s ILE 35 CO 0.00 -0.10 0.48 0.54 0.00 0.00 0.00 174.94 175.86 2aj0 s VAL 36 N 1.60 5.03 -1.37 2.92 0.11 -1.26 -0.63 120.40 126.79 2aj0 s VAL 36 Ca -0.03 -0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 58.80 2aj0 s VAL 36 Cb -0.18 -4.04 0.09 0.00 -1.53 0.00 0.00 36.38 30.73 2aj0 s VAL 36 CO -0.07 -0.39 2.02 0.59 -3.33 0.00 0.00 175.10 173.93 2aj0 n ASN 37 N 5.74 4.44 -3.57 3.54 4.13 0.23 -4.85 115.26 124.92 2aj0 n ASN 37 Ca -0.06 -2.94 -0.40 0.00 1.68 0.00 0.00 54.58 52.86 2aj0 n ASN 37 Cb 0.48 -1.61 -0.02 0.00 -1.54 0.00 0.00 39.78 37.09 2aj0 n ASN 37 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2aj0 n PHE 38 N 5.59 2.68 -2.70 3.10 7.35 -1.26 -3.37 117.46 128.84 2aj0 n PHE 38 Ca 0.47 -2.59 -0.07 0.00 -0.76 0.00 0.00 57.45 54.50 2aj0 n PHE 38 Cb 0.39 -2.23 0.10 0.00 0.35 0.00 0.00 39.48 38.09 2aj0 n PHE 38 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2aj0 n GLY 39 N 4.08 0.98 2.46 7.13 0.00 -1.26 -4.68 105.19 113.90 2aj0 n GLY 39 Ca 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.36 -1.78 -2.00 4.61 0.00 -1.26 -5.00 120.51 114.72 2aj0 n ALA 40 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2aj0 n ALA 40 Cb 0.80 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.14 0.00 -3.53 0.00 7.64 -1.24 -5.09 113.62 109.27 2aj0 n SER 41 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 2aj0 n SER 41 Cb 0.55 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 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 2.37 1.11 -0.23 1.43 -2.85 -1.22 -2.38 119.74 117.97 2aj0 s LYS 42 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 55.97 54.70 2aj0 s LYS 42 Cb 0.00 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 2aj0 s LYS 42 CO 0.00 -0.42 -0.06 -1.50 0.10 0.00 0.00 175.35 173.47 2aj0 s ILE 43 N -2.68 3.01 0.16 3.79 -1.16 0.59 -0.60 121.20 124.30 2aj0 s ILE 43 Ca -0.04 -0.81 -0.16 0.00 -0.51 0.00 0.00 60.65 59.13 2aj0 s ILE 43 Cb -0.00 -2.44 -0.07 0.00 0.61 0.00 0.00 42.46 40.55 2aj0 s ILE 43 CO -0.04 0.31 0.59 -0.89 -2.81 0.00 0.00 174.94 172.11 2aj0 s THR 44 N 1.38 4.79 -0.04 4.00 2.01 0.20 -0.97 115.64 127.01 2aj0 s THR 44 Ca 0.03 0.95 0.02 0.00 0.31 0.00 0.00 61.69 63.00 2aj0 s THR 44 Cb -0.15 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.60 2aj0 s THR 44 CO -0.05 0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.37 2aj0 s VAL 45 N -1.46 0.69 -0.06 3.82 1.01 0.31 -1.01 120.40 123.70 2aj0 s VAL 45 Ca 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2aj0 s VAL 45 Cb -0.16 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.60 2aj0 s VAL 45 CO 0.19 0.24 0.13 -0.89 0.00 0.00 0.00 175.10 174.78 2aj0 s THR 46 N 0.57 -0.04 0.00 3.92 2.01 0.18 -0.74 115.64 121.54 2aj0 s THR 46 Ca -0.09 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2aj0 s THR 46 Cb -0.12 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.17 2aj0 s THR 46 CO 0.01 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2aj0 n GLY 47 N 3.92 -0.79 2.70 4.40 0.00 -0.50 -0.03 105.19 114.89 2aj0 n GLY 47 Ca -0.23 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.81 -4.20 1.61 2.13 -0.07 -4.79 120.64 116.13 2aj0 n GLU 48 Ca 0.00 -1.50 -0.15 0.00 0.66 0.00 0.00 57.16 56.17 2aj0 n GLU 48 Cb 0.00 -0.37 -0.08 0.00 0.27 0.00 0.00 31.44 31.26 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 0.17 1.29 0.20 4.31 0.00 -1.18 -4.67 121.76 121.88 2aj0 s ALA 49 Ca 0.19 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.40 2aj0 s ALA 49 Cb 0.29 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.74 2aj0 s ALA 49 CO -0.08 -0.66 0.03 -1.12 0.00 0.00 0.00 175.76 173.93 2aj0 s SER 50 N -3.24 1.22 0.27 0.00 0.01 -1.26 -4.91 113.70 105.78 2aj0 s SER 50 Ca 0.37 -1.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.38 2aj0 s SER 50 Cb 0.04 0.13 0.60 0.00 0.21 0.00 0.00 66.02 66.99 2aj0 s SER 50 CO 0.19 -0.62 1.68 -0.29 0.41 0.00 0.00 173.24 174.61 2aj0 h ILE 51 N 2.58 0.46 -0.59 1.44 -0.00 -1.99 -2.93 117.51 116.49 2aj0 h ILE 51 Ca -0.37 -0.10 0.14 0.00 -0.00 0.00 0.00 64.86 64.53 2aj0 h ILE 51 Cb 1.22 0.13 -0.11 0.00 -0.00 0.00 0.00 36.82 38.06 2aj0 h ILE 51 CO 0.62 0.06 -0.05 0.00 -0.00 0.00 0.00 178.15 178.77 2aj0 n GLN 52 N -5.13 -0.05 -0.07 2.19 1.13 -1.26 0.10 117.38 114.29 2aj0 n GLN 52 Ca 0.18 0.89 -0.12 0.00 -1.94 0.00 0.00 57.00 56.02 2aj0 n GLN 52 Cb 0.56 -1.38 -0.05 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 0.37 -0.13 -1.09 4.20 -1.95 -0.72 115.11 115.79 2aj0 h GLN 53 Ca 0.33 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 2aj0 h GLN 53 Cb 0.61 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2aj0 h GLN 53 CO -0.57 0.59 -0.02 0.28 -0.67 0.00 0.00 178.83 178.44 2aj0 h VAL 54 N 0.12 1.10 0.55 -0.54 2.07 0.52 -0.76 116.25 119.31 2aj0 h VAL 54 Ca 0.06 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2aj0 h VAL 54 Cb 0.44 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2aj0 h VAL 54 CO 0.01 0.13 -0.27 -0.08 0.02 0.00 0.00 177.57 177.39 2aj0 h GLU 55 N 0.18 -0.72 -0.35 1.57 4.81 0.38 0.14 114.58 120.60 2aj0 h GLU 55 Ca 0.04 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2aj0 h GLU 55 Cb 0.17 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2aj0 h GLU 55 CO 0.01 -0.47 0.09 0.37 -0.73 0.00 0.00 179.01 178.27 2aj0 h GLN 56 N -0.76 0.21 -0.44 1.92 -0.00 -0.81 -1.07 115.11 114.17 2aj0 h GLN 56 Ca -0.08 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.65 2aj0 h GLN 56 Cb 0.58 -0.05 -0.09 0.00 0.00 0.00 0.00 27.48 27.92 2aj0 h GLN 56 CO 0.12 0.14 -0.17 0.00 0.00 0.00 0.00 178.83 178.92 2aj0 h ALA 57 N 1.25 0.19 0.00 3.38 0.00 -0.96 -1.69 119.26 121.43 2aj0 h ALA 57 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2aj0 h ALA 57 Cb 0.18 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2aj0 h ALA 57 CO -0.21 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 178.94 2aj0 n GLY 58 N -1.37 -0.66 0.53 0.00 0.00 0.48 -2.57 105.19 101.60 2aj0 n GLY 58 Ca 0.03 0.02 0.35 0.00 0.00 0.00 0.00 46.02 46.42 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 2.10 3.11 -0.20 4.61 0.00 -0.89 0.33 119.26 128.33 2aj0 h ALA 59 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2aj0 h ALA 59 Cb 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2aj0 h ALA 59 CO 0.00 -1.46 0.16 0.27 0.00 0.00 0.00 179.25 178.23 2aj0 h PHE 60 N 0.01 0.00 0.00 0.00 -5.15 -1.73 -3.18 116.94 106.90 2aj0 h PHE 60 Ca 0.57 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.34 2aj0 h PHE 60 Cb 2.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.44 2aj0 h PHE 60 CO -0.00 0.00 0.00 -1.91 -2.00 0.00 0.00 178.31 174.40 2aj0 n GLU 61 N -4.20 2.09 -2.95 6.09 2.13 0.01 -5.07 120.64 118.74 2aj0 n GLU 61 Ca 0.02 -0.12 -0.11 0.00 0.66 0.00 0.00 57.16 57.61 2aj0 n GLU 61 Cb 0.30 -0.50 0.05 0.00 0.27 0.00 0.00 31.44 31.56 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 -0.33 -2.13 -2.03 4.31 8.25 0.95 -5.01 115.22 119.23 2aj0 n HIS 62 Ca 0.00 0.75 -0.28 0.00 -0.26 0.00 0.00 57.72 57.94 2aj0 n HIS 62 Cb 0.04 -3.84 0.08 0.00 1.12 0.00 0.00 29.99 27.39 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 -4.82 2.67 -0.44 2.41 2.01 -1.23 -5.01 118.68 114.27 2aj0 s LEU 63 Ca 0.33 0.69 0.07 0.00 0.01 0.00 0.00 54.13 55.23 2aj0 s LEU 63 Cb -0.04 -3.27 0.24 0.00 0.01 0.00 0.00 46.19 43.13 2aj0 s LEU 63 CO 0.62 -1.72 0.55 2.29 1.01 0.00 0.00 176.35 179.10 2aj0 n LYS 64 N -3.12 1.03 -2.73 1.70 0.00 -1.25 -4.98 118.16 108.81 2aj0 n LYS 64 Ca 0.08 -3.50 -0.41 0.00 -0.00 0.00 0.00 58.31 54.48 2aj0 n LYS 64 Cb 0.60 -1.45 -0.05 0.00 -0.00 0.00 0.00 35.03 34.14 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 -1.34 4.43 -0.07 0.58 1.01 -1.26 -4.30 121.20 120.25 2aj0 s ILE 65 Ca 0.36 2.07 0.04 0.00 0.00 0.00 0.00 60.65 63.12 2aj0 s ILE 65 Cb 0.15 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 2aj0 s ILE 65 CO -0.10 0.34 -0.20 -0.63 0.00 0.00 0.00 174.94 174.36 2aj0 s ILE 66 N -0.17 2.52 -0.56 2.92 1.09 0.20 -4.94 121.20 122.26 2aj0 s ILE 66 Ca 0.46 -0.90 -0.26 0.00 -1.10 0.00 0.00 60.65 58.85 2aj0 s ILE 66 Cb -0.24 -1.97 -0.04 0.00 -1.06 0.00 0.00 42.46 39.16 2aj0 s ILE 66 CO 0.30 0.57 2.05 -2.16 -0.10 0.00 0.00 174.94 175.60 2aj0 s PRO 67 N -0.22 2.47 0.32 2.79 0.04 -1.26 -0.22 135.00 138.92 2aj0 s PRO 67 Ca -0.01 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 2aj0 s PRO 67 Cb -0.13 -4.45 -0.12 0.00 0.04 0.00 0.00 34.50 29.83 2aj0 s PRO 67 CO 0.03 -2.89 1.36 -1.91 0.04 0.00 0.00 177.00 173.63 2aj0 n GLU 68 N 9.10 2.21 -1.85 4.56 2.13 -1.26 -4.92 120.64 130.61 2aj0 n GLU 68 Ca 0.26 0.78 -0.38 0.00 0.66 0.00 0.00 57.16 58.48 2aj0 n GLU 68 Cb 0.53 -2.40 0.04 0.00 0.27 0.00 0.00 31.44 29.87 2aj0 n GLU 68 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2aj0 s LYS 69 N -1.52 3.12 0.41 5.31 -0.14 -1.26 -4.96 119.74 120.71 2aj0 s LYS 69 Ca 0.58 2.13 -0.23 0.00 -1.36 0.00 0.00 55.97 57.09 2aj0 s LYS 69 Cb -0.57 -2.20 -0.12 0.00 -1.68 0.00 0.00 37.83 33.26 2aj0 s LYS 69 CO 0.59 -1.17 0.71 0.39 -0.76 0.00 0.00 175.35 175.11 2aj0 n GLU 70 N -1.12 0.82 0.00 1.68 4.71 -1.26 -5.18 120.64 120.29 2aj0 n GLU 70 Ca 0.11 0.30 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 2aj0 n GLU 70 Cb 0.46 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22