#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 -2.01 0.28 3.04 0.00 -1.26 -5.04 121.76 116.77 2aj0 s ALA 2 Ca 0.00 1.55 -0.21 0.00 0.00 0.00 0.00 51.96 53.30 2aj0 s ALA 2 Cb 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2aj0 s ALA 2 CO 0.00 -0.48 0.74 -1.83 0.00 0.00 0.00 175.76 174.19 2aj0 s GLU 3 N -1.98 1.80 0.55 0.00 1.03 -1.26 -5.11 118.70 113.72 2aj0 s GLU 3 Ca 0.06 -1.01 -0.07 0.00 0.03 0.00 0.00 54.97 53.97 2aj0 s GLU 3 Cb -0.01 0.60 -0.03 0.00 -0.80 0.00 0.00 34.13 33.89 2aj0 s GLU 3 CO -0.04 -0.83 0.89 -1.59 -1.33 0.00 0.00 175.26 172.36 2aj0 s LYS 4 N -3.74 3.47 -0.05 -4.83 0.00 -1.26 -4.02 119.74 109.30 2aj0 s LYS 4 Ca 0.11 0.38 -0.13 0.00 0.00 0.00 0.00 55.97 56.33 2aj0 s LYS 4 Cb -0.06 -2.25 0.02 0.00 0.00 0.00 0.00 37.83 35.55 2aj0 s LYS 4 CO 0.07 -0.41 0.31 0.99 0.00 0.00 0.00 175.35 176.31 2aj0 s THR 5 N -2.94 0.04 -0.00 3.79 2.01 0.14 -4.99 115.64 113.68 2aj0 s THR 5 Ca 0.51 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2aj0 s THR 5 Cb -0.11 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 2aj0 s THR 5 CO 0.48 -0.17 -0.04 0.54 -0.69 0.00 0.00 174.62 174.74 2aj0 s VAL 6 N -0.77 0.29 0.07 3.82 0.11 -1.26 -0.37 120.40 122.29 2aj0 s VAL 6 Ca -0.09 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2aj0 s VAL 6 Cb -0.04 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2aj0 s VAL 6 CO 0.03 0.07 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.40 2aj0 s TYR 7 N -0.11 1.41 -0.20 1.54 1.51 -0.27 -4.23 117.35 116.99 2aj0 s TYR 7 Ca 0.01 -0.42 -0.22 0.00 -1.01 0.00 0.00 57.07 55.43 2aj0 s TYR 7 Cb -0.02 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2aj0 s TYR 7 CO -0.00 0.09 0.68 0.50 -1.11 0.00 0.00 175.55 175.72 2aj0 s ARG 8 N -1.63 4.21 -0.07 -0.62 3.52 0.14 -0.69 118.95 123.80 2aj0 s ARG 8 Ca 0.02 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 2aj0 s ARG 8 Cb -0.10 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2aj0 s ARG 8 CO 0.03 -0.30 -0.06 0.54 -0.81 0.00 0.00 175.30 174.70 2aj0 s VAL 9 N 2.11 3.81 0.05 7.11 0.11 -1.24 -0.16 120.40 132.19 2aj0 s VAL 9 Ca 0.31 -0.44 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2aj0 s VAL 9 Cb -0.16 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 2aj0 s VAL 9 CO 0.10 0.60 -0.04 -1.81 -3.33 0.00 0.00 175.10 170.62 2aj0 s ASP 10 N -0.83 0.61 0.00 3.54 1.01 -1.26 -4.19 116.67 115.55 2aj0 s ASP 10 Ca 0.13 -0.88 0.00 0.00 0.71 0.00 0.00 52.55 52.50 2aj0 s ASP 10 Cb -0.11 0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.97 2aj0 s ASP 10 CO 0.02 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 175.51 2aj0 n GLY 11 N 0.43 2.41 3.81 0.21 0.00 -1.26 -4.08 105.19 106.71 2aj0 n GLY 11 Ca -0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 1.99 0.00 0.99 0.05 -1.26 -5.00 118.68 115.44 2aj0 s LEU 12 Ca 0.00 0.42 0.00 0.00 0.05 0.00 0.00 54.13 54.60 2aj0 s LEU 12 Cb 0.00 -2.36 0.00 0.00 -2.05 0.00 0.00 46.19 41.78 2aj0 s LEU 12 CO 0.00 -3.21 0.00 -0.24 -0.55 0.00 0.00 176.35 172.35 2aj0 n SER 13 N -4.11 0.00 -4.65 1.48 2.88 -1.26 -4.02 113.62 103.94 2aj0 n SER 13 Ca 0.14 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.17 2aj0 n SER 13 Cb 0.59 0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 64.18 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 4.16 0.30 -0.42 0.00 2.02 -2.00 0.27 112.91 117.24 2aj0 h THR 15 Ca -0.47 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 66.71 2aj0 h THR 15 Cb 1.30 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 2aj0 h THR 15 CO 0.87 0.04 0.06 -1.13 0.37 0.00 0.00 175.52 175.73 2aj0 h ASN 16 N 0.20 -0.04 -0.43 4.18 -0.73 -1.99 0.18 115.58 116.95 2aj0 h ASN 16 Ca 0.55 0.08 -0.07 0.00 1.87 0.00 0.00 56.30 58.73 2aj0 h ASN 16 Cb 1.11 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.80 2aj0 h ASN 16 CO -0.67 0.01 0.01 0.00 -0.37 0.00 0.00 177.43 176.42 2aj0 h ALA 18 N 0.90 0.27 0.26 0.00 0.00 -0.47 0.50 119.26 120.73 2aj0 h ALA 18 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2aj0 h ALA 18 Cb 0.47 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2aj0 h ALA 18 CO 0.02 -0.42 -0.15 0.00 0.00 0.00 0.00 179.25 178.70 2aj0 h ALA 19 N 1.29 -0.38 -0.58 0.00 0.00 -0.44 0.45 119.26 119.61 2aj0 h ALA 19 Ca 0.16 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.11 2aj0 h ALA 19 Cb 0.22 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 2aj0 h ALA 19 CO -0.28 -0.72 -0.10 -0.22 0.00 0.00 0.00 179.25 177.93 2aj0 h LYS 20 N -0.39 0.03 0.41 0.00 1.63 -0.91 -0.74 116.57 116.59 2aj0 h LYS 20 Ca -0.03 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2aj0 h LYS 20 Cb 0.32 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2aj0 h LYS 20 CO 0.03 0.02 -0.29 0.74 -3.45 0.00 0.00 179.45 176.50 2aj0 h PHE 21 N 0.03 -0.80 -0.64 1.91 0.04 -0.26 0.15 116.94 117.37 2aj0 h PHE 21 Ca 0.28 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.12 2aj0 h PHE 21 Cb 0.44 0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.83 2aj0 h PHE 21 CO -0.44 -0.42 0.32 1.05 -0.60 0.00 0.00 178.31 178.23 2aj0 h GLU 22 N -0.67 0.57 0.11 1.51 -0.00 -0.65 0.56 114.58 116.01 2aj0 h GLU 22 Ca -0.05 -0.03 0.01 0.00 -0.00 0.00 0.00 59.36 59.28 2aj0 h GLU 22 Cb 0.55 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.15 2aj0 h GLU 22 CO 0.02 0.38 -0.18 -0.09 -0.00 0.00 0.00 179.01 179.14 2aj0 h ARG 23 N 0.59 -0.34 -0.65 1.06 2.43 -1.15 0.15 114.38 116.47 2aj0 h ARG 23 Ca 0.30 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.63 2aj0 h ARG 23 Cb 0.26 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.77 2aj0 h ARG 23 CO -0.22 -0.23 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.06 2aj0 h ASN 24 N -0.35 -0.39 -0.28 -3.80 4.21 0.72 0.21 115.58 115.90 2aj0 h ASN 24 Ca 0.02 0.17 -0.00 0.00 1.21 0.00 0.00 56.30 57.70 2aj0 h ASN 24 Cb 0.36 0.32 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2aj0 h ASN 24 CO -0.09 -0.16 0.17 0.58 -1.29 0.00 0.00 177.43 176.64 2aj0 h VAL 25 N 0.08 1.11 -0.85 2.81 2.07 -0.18 -2.04 116.25 119.24 2aj0 h VAL 25 Ca 0.33 -0.26 0.14 0.00 0.82 0.00 0.00 66.70 67.74 2aj0 h VAL 25 Cb 0.54 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2aj0 h VAL 25 CO -0.59 0.10 0.55 0.11 0.02 0.00 0.00 177.57 177.77 2aj0 h LYS 26 N 0.36 0.62 0.00 1.57 6.56 1.00 0.67 116.57 127.35 2aj0 h LYS 26 Ca 0.10 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2aj0 h LYS 26 Cb 0.02 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 2aj0 h LYS 26 CO -0.02 0.41 0.00 0.39 -2.06 0.00 0.00 179.45 178.17 2aj0 n GLU 27 N -4.54 0.00 -2.89 3.15 1.02 0.57 -4.72 120.64 113.24 2aj0 n GLU 27 Ca 0.16 0.23 -0.41 0.00 -0.02 0.00 0.00 57.16 57.12 2aj0 n GLU 27 Cb 0.47 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.99 4.95 0.19 -3.67 -1.09 0.23 -4.96 121.20 113.85 2aj0 s ILE 28 Ca 0.08 1.71 0.12 0.00 -2.23 0.00 0.00 60.65 60.32 2aj0 s ILE 28 Cb 0.10 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2aj0 s ILE 28 CO 0.29 0.18 1.56 -0.33 -1.23 0.00 0.00 174.94 175.40 2aj0 h GLU 29 N 6.87 0.00 0.00 2.79 5.08 -1.85 -3.28 114.58 124.19 2aj0 h GLU 29 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2aj0 h GLU 29 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2aj0 h GLU 29 CO 0.77 0.64 0.00 0.78 -1.00 0.00 0.00 179.01 180.20 2aj0 h GLY 30 N 2.25 0.00 -3.38 -3.84 0.00 -1.94 -3.43 103.07 92.73 2aj0 h GLY 30 Ca -0.01 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 2aj0 h GLY 30 CO 0.08 0.00 -0.81 0.54 0.00 0.00 0.00 176.54 176.35 2aj0 s VAL 31 N -3.51 2.52 -0.23 4.60 0.11 -1.24 -2.98 120.40 119.67 2aj0 s VAL 31 Ca 0.01 -1.90 -0.18 0.00 -2.93 0.00 0.00 61.98 56.98 2aj0 s VAL 31 Cb 0.09 -2.20 -0.15 0.00 -1.53 0.00 0.00 36.38 32.59 2aj0 s VAL 31 CO 0.37 -0.08 -0.04 0.41 -3.33 0.00 0.00 175.10 172.43 2aj0 n THR 32 N 0.34 1.52 -4.18 5.04 -1.04 -1.08 -4.94 114.28 109.94 2aj0 n THR 32 Ca -0.13 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.05 61.64 2aj0 n THR 32 Cb 0.55 -2.02 -0.10 0.00 -1.82 0.00 0.00 70.33 66.94 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 -2.43 0.86 -0.18 -2.82 2.02 0.10 -5.00 118.70 111.25 2aj0 s GLU 33 Ca -0.32 -1.35 -0.18 0.00 0.02 0.00 0.00 54.97 53.14 2aj0 s GLU 33 Cb 0.09 -0.24 0.05 0.00 0.10 0.00 0.00 34.13 34.13 2aj0 s GLU 33 CO 0.52 -0.02 0.51 0.00 0.02 0.00 0.00 175.26 176.29 2aj0 s ALA 34 N -3.61 -1.25 -0.14 5.21 0.00 -1.26 0.17 121.76 120.89 2aj0 s ALA 34 Ca 0.13 1.41 -0.00 0.00 0.00 0.00 0.00 51.96 53.49 2aj0 s ALA 34 Cb 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2aj0 s ALA 34 CO -0.04 -0.24 -0.09 0.42 0.00 0.00 0.00 175.76 175.80 2aj0 s ILE 35 N 0.22 1.24 -0.14 0.00 1.01 0.38 -4.97 121.20 118.93 2aj0 s ILE 35 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 2aj0 s ILE 35 Cb -0.04 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2aj0 s ILE 35 CO 0.01 0.35 0.03 0.68 0.00 0.00 0.00 174.94 176.01 2aj0 s VAL 36 N 1.61 4.50 -0.15 2.92 -7.23 -1.26 -0.52 120.40 120.27 2aj0 s VAL 36 Ca 0.04 -0.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 2aj0 s VAL 36 Cb -0.13 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 2aj0 s VAL 36 CO -0.09 0.52 -0.16 0.59 -0.31 0.00 0.00 175.10 175.66 2aj0 n ASN 37 N 2.99 1.82 -0.74 4.85 4.13 -0.23 -5.01 115.26 123.07 2aj0 n ASN 37 Ca -0.18 0.60 0.00 0.00 1.68 0.00 0.00 54.58 56.68 2aj0 n ASN 37 Cb 0.53 -0.87 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 2aj0 n ASN 37 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2aj0 n PHE 38 N -4.59 -1.73 -3.32 3.10 3.72 -1.22 -4.93 117.46 108.50 2aj0 n PHE 38 Ca -0.10 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.07 2aj0 n PHE 38 Cb 0.32 0.24 0.06 0.00 -0.94 0.00 0.00 39.48 39.17 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 0.00 -0.48 1.75 1.37 0.00 -1.26 -3.63 105.19 102.95 2aj0 n GLY 39 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.32 -1.59 -2.01 4.61 0.00 -1.26 -5.06 120.51 110.88 2aj0 n ALA 40 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2aj0 n ALA 40 Cb 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.17 0.00 -3.42 0.00 7.64 -1.24 -5.13 113.62 110.30 2aj0 n SER 41 Ca -0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2aj0 n SER 41 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 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 3.05 1.94 -0.12 1.43 0.00 -1.26 -3.71 119.74 121.06 2aj0 s LYS 42 Ca 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 55.97 54.62 2aj0 s LYS 42 Cb 0.00 0.56 0.03 0.00 0.00 0.00 0.00 37.83 38.42 2aj0 s LYS 42 CO 0.00 -0.87 -0.06 -1.50 0.00 0.00 0.00 175.35 172.92 2aj0 s ILE 43 N -3.17 0.94 -0.09 3.79 -1.16 0.13 -1.06 121.20 120.58 2aj0 s ILE 43 Ca 0.18 -0.29 -0.11 0.00 -0.51 0.00 0.00 60.65 59.92 2aj0 s ILE 43 Cb -0.04 -1.01 -0.05 0.00 0.61 0.00 0.00 42.46 41.97 2aj0 s ILE 43 CO 0.11 0.30 0.26 -0.89 -2.81 0.00 0.00 174.94 171.91 2aj0 s THR 44 N 1.74 5.30 0.03 4.00 2.01 0.32 -1.12 115.64 127.92 2aj0 s THR 44 Ca 0.04 0.49 0.08 0.00 0.31 0.00 0.00 61.69 62.61 2aj0 s THR 44 Cb -0.13 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2aj0 s THR 44 CO -0.08 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.50 2aj0 s VAL 45 N -0.77 2.42 -0.38 3.82 1.01 0.50 -0.47 120.40 126.53 2aj0 s VAL 45 Ca 0.18 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2aj0 s VAL 45 Cb -0.14 -1.96 0.16 0.00 0.00 0.00 0.00 36.38 34.44 2aj0 s VAL 45 CO 0.07 0.40 0.36 -0.89 0.00 0.00 0.00 175.10 175.05 2aj0 s THR 46 N -0.81 -0.20 0.00 3.92 2.01 0.13 -0.69 115.64 120.00 2aj0 s THR 46 Ca 0.12 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.79 2aj0 s THR 46 Cb -0.10 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.63 2aj0 s THR 46 CO 0.03 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 173.86 2aj0 n GLY 47 N 3.94 0.68 2.69 4.40 0.00 -1.26 0.01 105.19 115.66 2aj0 n GLY 47 Ca 0.14 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 1.23 -3.91 1.61 2.13 -1.16 -4.17 120.64 116.37 2aj0 n GLU 48 Ca 0.00 -2.04 -0.11 0.00 0.66 0.00 0.00 57.16 55.67 2aj0 n GLU 48 Cb 0.00 -0.24 -0.00 0.00 0.27 0.00 0.00 31.44 31.47 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 -0.50 -0.25 0.41 4.31 0.00 -1.24 -4.87 121.76 119.63 2aj0 s ALA 49 Ca 0.21 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2aj0 s ALA 49 Cb 0.41 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.35 2aj0 s ALA 49 CO -0.07 -0.92 0.17 -1.12 0.00 0.00 0.00 175.76 173.82 2aj0 s SER 50 N -3.11 4.39 0.46 0.00 0.01 -1.26 -4.93 113.70 109.25 2aj0 s SER 50 Ca 0.20 -1.09 0.19 0.00 1.31 0.00 0.00 55.95 56.57 2aj0 s SER 50 Cb -0.03 -0.48 1.16 0.00 0.21 0.00 0.00 66.02 66.88 2aj0 s SER 50 CO 0.14 -0.53 1.93 -0.29 0.41 0.00 0.00 173.24 174.90 2aj0 h ILE 51 N 1.46 0.75 -0.77 1.44 6.09 -1.98 -3.10 117.51 121.40 2aj0 h ILE 51 Ca -0.43 -0.10 0.18 0.00 -1.37 0.00 0.00 64.86 63.14 2aj0 h ILE 51 Cb 1.25 0.43 -0.14 0.00 0.47 0.00 0.00 36.82 38.83 2aj0 h ILE 51 CO 0.70 0.05 -0.11 0.00 -3.07 0.00 0.00 178.15 175.73 2aj0 n GLN 52 N -4.44 -0.07 0.05 2.19 1.13 -1.26 0.87 117.38 115.85 2aj0 n GLN 52 Ca 0.14 1.18 -0.12 0.00 -1.94 0.00 0.00 57.00 56.26 2aj0 n GLN 52 Cb 0.60 -1.81 -0.07 0.00 0.11 0.00 0.00 30.24 29.07 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 -0.03 -0.55 -1.09 4.20 -1.97 0.11 115.11 115.77 2aj0 h GLN 53 Ca 0.41 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.15 2aj0 h GLN 53 Cb 0.73 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 2aj0 h GLN 53 CO -0.76 0.03 0.33 0.28 -0.67 0.00 0.00 178.83 178.03 2aj0 h VAL 54 N -0.09 1.04 -0.45 -0.54 2.07 0.29 -0.28 116.25 118.29 2aj0 h VAL 54 Ca -0.00 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2aj0 h VAL 54 Cb 0.08 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2aj0 h VAL 54 CO 0.01 0.12 -0.09 -0.08 0.02 0.00 0.00 177.57 177.54 2aj0 h GLU 55 N 0.64 0.85 -0.16 1.57 4.81 -0.28 0.18 114.58 122.19 2aj0 h GLU 55 Ca 0.23 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2aj0 h GLU 55 Cb 0.05 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 2aj0 h GLU 55 CO -0.11 0.95 -0.14 0.37 -0.73 0.00 0.00 179.01 179.35 2aj0 h GLN 56 N 0.69 -0.15 -0.62 1.92 -0.00 -0.52 0.26 115.11 116.69 2aj0 h GLN 56 Ca 0.12 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.91 2aj0 h GLN 56 Cb 0.63 0.03 -0.11 0.00 0.00 0.00 0.00 27.48 28.04 2aj0 h GLN 56 CO 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 178.83 178.76 2aj0 h ALA 57 N 0.95 0.59 0.00 3.38 0.00 -0.65 0.37 119.26 123.90 2aj0 h ALA 57 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2aj0 h ALA 57 Cb 0.31 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2aj0 h ALA 57 CO -0.26 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.00 2aj0 n GLY 58 N -1.37 -0.54 0.35 0.00 0.00 0.60 -3.19 105.19 101.04 2aj0 n GLY 58 Ca 0.09 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.28 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 2.05 1.47 -0.55 4.61 0.00 0.45 0.21 119.26 127.50 2aj0 h ALA 59 Ca 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2aj0 h ALA 59 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2aj0 h ALA 59 CO 0.00 -0.34 0.37 0.27 0.00 0.00 0.00 179.25 179.56 2aj0 h PHE 60 N 0.00 0.39 0.00 0.00 -5.15 -1.77 -3.23 116.94 107.18 2aj0 h PHE 60 Ca 0.04 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 2aj0 h PHE 60 Cb 0.62 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 36.66 2aj0 h PHE 60 CO 0.00 0.19 -0.23 0.39 -2.00 0.00 0.00 178.31 176.66 2aj0 n GLU 61 N -4.47 5.37 -2.16 6.09 -0.58 0.18 -5.07 120.64 120.00 2aj0 n GLU 61 Ca 0.09 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2aj0 n GLU 61 Cb 0.35 -0.61 0.02 0.00 -0.57 0.00 0.00 31.44 30.63 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 -1.11 -1.00 -1.78 -0.32 8.25 0.48 -5.05 115.22 114.69 2aj0 n HIS 62 Ca 0.00 0.36 -0.29 0.00 -0.26 0.00 0.00 57.72 57.52 2aj0 n HIS 62 Cb 0.00 -2.99 0.15 0.00 1.12 0.00 0.00 29.99 28.27 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 -3.66 2.36 -0.40 2.41 2.01 -1.24 -5.03 118.68 115.13 2aj0 s LEU 63 Ca 0.14 0.57 0.08 0.00 0.01 0.00 0.00 54.13 54.93 2aj0 s LEU 63 Cb -0.02 -2.77 0.26 0.00 0.01 0.00 0.00 46.19 43.68 2aj0 s LEU 63 CO 0.29 -2.57 0.62 2.29 1.01 0.00 0.00 176.35 177.98 2aj0 n LYS 64 N -3.72 0.76 -2.79 1.70 0.00 -1.26 -5.01 118.16 107.85 2aj0 n LYS 64 Ca 0.11 -3.01 -0.43 0.00 -0.00 0.00 0.00 58.31 54.99 2aj0 n LYS 64 Cb 0.60 -1.31 -0.04 0.00 -0.00 0.00 0.00 35.03 34.28 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 -1.06 4.35 -0.14 0.58 1.01 -1.26 -4.24 121.20 120.44 2aj0 s ILE 65 Ca 0.35 0.54 -0.17 0.00 0.00 0.00 0.00 60.65 61.36 2aj0 s ILE 65 Cb 0.21 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2aj0 s ILE 65 CO -0.12 -1.07 0.45 -0.63 0.00 0.00 0.00 174.94 173.57 2aj0 s ILE 66 N 4.06 5.20 -0.57 2.92 1.01 0.77 -4.85 121.20 129.75 2aj0 s ILE 66 Ca 0.35 0.87 -0.27 0.00 0.00 0.00 0.00 60.65 61.60 2aj0 s ILE 66 Cb -0.11 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2aj0 s ILE 66 CO 0.23 0.32 1.94 -2.16 0.00 0.00 0.00 174.94 175.27 2aj0 s PRO 67 N 0.73 2.60 0.22 2.79 0.04 -1.26 -0.68 135.00 139.44 2aj0 s PRO 67 Ca 0.24 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 2aj0 s PRO 67 Cb -0.15 -4.40 0.25 0.00 0.04 0.00 0.00 34.50 30.24 2aj0 s PRO 67 CO 0.09 -2.75 1.62 0.93 0.04 0.00 0.00 177.00 176.94 2aj0 h GLU 68 N 15.53 0.00 -5.03 4.56 5.08 -1.92 -3.48 114.58 129.32 2aj0 h GLU 68 Ca -0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2aj0 h GLU 68 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2aj0 h GLU 68 CO 1.19 0.00 -0.60 1.63 -1.00 0.00 0.00 179.01 180.23 2aj0 n LYS 69 N -5.44 -2.50 0.00 2.33 4.76 -1.26 -4.85 118.16 111.19 2aj0 n LYS 69 Ca 0.08 2.18 0.00 0.00 -2.87 0.00 0.00 58.31 57.70 2aj0 n LYS 69 Cb 0.34 -5.21 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 2aj0 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2aj0 n GLU 70 N -0.01 0.00 0.00 1.97 4.71 -1.26 -5.22 120.64 120.83 2aj0 n GLU 70 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 2aj0 n GLU 70 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.72 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22