#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 -1.83 -0.27 3.04 0.00 -1.26 -4.85 120.51 115.35 2aj0 n ALA 2 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 2aj0 n ALA 2 Cb 0.00 -0.69 0.28 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.09 -4.52 -2.56 0.00 1.02 -1.26 -4.18 120.64 107.05 2aj0 n GLU 3 Ca -0.11 -1.34 -0.37 0.00 -0.02 0.00 0.00 57.16 55.31 2aj0 n GLU 3 Cb 0.31 -1.90 -0.04 0.00 -0.02 0.00 0.00 31.44 29.78 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2aj0 s LYS 4 N -4.88 4.33 -0.06 3.49 -2.85 -1.26 -4.81 119.74 113.70 2aj0 s LYS 4 Ca 0.65 1.56 -0.10 0.00 -1.00 0.00 0.00 55.97 57.07 2aj0 s LYS 4 Cb -0.12 -2.73 0.02 0.00 -2.06 0.00 0.00 37.83 32.94 2aj0 s LYS 4 CO 0.55 -0.00 0.24 0.99 0.10 0.00 0.00 175.35 177.23 2aj0 s THR 5 N -1.53 0.03 -0.08 3.79 2.01 -0.38 -5.02 115.64 114.45 2aj0 s THR 5 Ca 0.54 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.35 2aj0 s THR 5 Cb -0.24 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 2aj0 s THR 5 CO 0.30 -0.12 -0.18 0.54 -0.69 0.00 0.00 174.62 174.47 2aj0 s VAL 6 N -0.41 2.67 0.32 3.82 0.11 -1.26 -0.47 120.40 125.18 2aj0 s VAL 6 Ca -0.05 -0.83 0.10 0.00 -2.93 0.00 0.00 61.98 58.26 2aj0 s VAL 6 Cb -0.03 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2aj0 s VAL 6 CO 0.01 0.56 -0.03 -0.31 -3.33 0.00 0.00 175.10 172.00 2aj0 s TYR 7 N -0.13 2.52 -0.16 1.54 1.51 -0.28 -4.61 117.35 117.75 2aj0 s TYR 7 Ca -0.03 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2aj0 s TYR 7 Cb -0.14 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2aj0 s TYR 7 CO 0.04 0.55 0.01 1.03 -1.11 0.00 0.00 175.55 176.07 2aj0 s ARG 8 N -3.67 3.73 0.01 -0.62 0.52 -0.10 -0.61 118.95 118.21 2aj0 s ARG 8 Ca 0.33 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 2aj0 s ARG 8 Cb -0.02 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 2aj0 s ARG 8 CO 0.19 0.31 -0.20 0.54 0.02 0.00 0.00 175.30 176.15 2aj0 s VAL 9 N 0.22 2.59 0.17 3.52 0.11 -1.15 -0.44 120.40 125.42 2aj0 s VAL 9 Ca 0.01 -1.09 -0.04 0.00 -2.93 0.00 0.00 61.98 57.92 2aj0 s VAL 9 Cb -0.13 -2.02 -0.03 0.00 -1.53 0.00 0.00 36.38 32.67 2aj0 s VAL 9 CO 0.02 0.46 0.18 -0.62 -3.33 0.00 0.00 175.10 171.80 2aj0 s ASP 10 N -1.05 0.15 -0.87 3.54 -1.08 -0.51 -4.24 116.67 112.61 2aj0 s ASP 10 Ca 0.12 -1.13 -0.03 0.00 -0.52 0.00 0.00 52.55 51.00 2aj0 s ASP 10 Cb -0.10 0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 2aj0 s ASP 10 CO 0.02 -0.84 0.79 0.61 0.52 0.00 0.00 175.17 176.27 2aj0 n GLY 11 N -0.20 -1.15 3.41 2.66 0.00 -1.26 -3.32 105.19 105.33 2aj0 n GLY 11 Ca -0.04 0.50 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.65 2.23 0.00 0.99 -0.00 -1.26 -4.62 118.68 111.37 2aj0 s LEU 12 Ca 0.23 -1.29 0.00 0.00 -0.00 0.00 0.00 54.13 53.07 2aj0 s LEU 12 Cb -0.03 -0.39 0.00 0.00 -0.00 0.00 0.00 46.19 45.77 2aj0 s LEU 12 CO 0.72 -0.52 0.29 -1.20 -0.00 0.00 0.00 176.35 175.63 2aj0 n SER 13 N -0.58 0.00 -0.77 1.48 7.64 -1.26 -5.08 113.62 115.05 2aj0 n SER 13 Ca -0.04 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2aj0 n SER 13 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.77 0.48 -0.32 0.00 1.03 -1.97 0.17 112.91 113.06 2aj0 h THR 15 Ca 0.00 -0.13 0.07 0.00 -0.01 0.00 0.00 66.41 66.34 2aj0 h THR 15 Cb 0.00 0.08 -0.07 0.00 -1.07 0.00 0.00 68.15 67.09 2aj0 h THR 15 CO 0.00 0.07 -0.12 0.78 -0.01 0.00 0.00 175.52 176.23 2aj0 h ASN 16 N 0.37 -0.43 0.33 0.00 2.35 -2.00 0.13 115.58 116.34 2aj0 h ASN 16 Ca 0.62 0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 56.34 2aj0 h ASN 16 Cb 1.59 0.25 -0.01 0.00 0.05 0.00 0.00 38.32 40.20 2aj0 h ASN 16 CO -0.32 -0.16 -0.59 0.00 -1.65 0.00 0.00 177.43 174.71 2aj0 h ALA 18 N 1.18 0.57 0.01 0.00 0.00 0.08 0.28 119.26 121.37 2aj0 h ALA 18 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2aj0 h ALA 18 Cb 1.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2aj0 h ALA 18 CO 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.07 2aj0 h ALA 19 N 1.35 -0.01 -0.89 0.00 0.00 -0.68 0.93 119.26 119.96 2aj0 h ALA 19 Ca 0.24 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2aj0 h ALA 19 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2aj0 h ALA 19 CO -0.28 -0.50 0.51 -0.22 0.00 0.00 0.00 179.25 178.77 2aj0 h LYS 20 N -0.03 0.75 0.59 0.00 3.64 -0.96 -0.29 116.57 120.26 2aj0 h LYS 20 Ca -0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2aj0 h LYS 20 Cb 0.03 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2aj0 h LYS 20 CO 0.00 0.50 -0.29 0.35 -2.27 0.00 0.00 179.45 177.74 2aj0 h PHE 21 N 0.77 -0.74 -0.61 1.91 3.57 0.41 0.19 116.94 122.44 2aj0 h PHE 21 Ca 0.46 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.02 2aj0 h PHE 21 Cb 0.56 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 2aj0 h PHE 21 CO -0.05 -0.41 0.28 1.05 -2.23 0.00 0.00 178.31 176.95 2aj0 h GLU 22 N -0.99 0.49 0.23 1.11 4.11 -0.53 0.74 114.58 119.73 2aj0 h GLU 22 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2aj0 h GLU 22 Cb 0.67 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2aj0 h GLU 22 CO 0.13 0.32 -0.11 -0.09 0.07 0.00 0.00 179.01 179.34 2aj0 h ARG 23 N 0.51 -0.29 -0.57 1.06 9.65 -1.03 0.81 114.38 124.52 2aj0 h ARG 23 Ca 0.29 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.31 2aj0 h ARG 23 Cb 0.29 0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 28.83 2aj0 h ARG 23 CO -0.24 -0.17 -0.13 -0.91 2.80 0.00 0.00 179.97 181.32 2aj0 h ASN 24 N -0.34 -0.51 0.08 -3.80 4.21 0.22 0.27 115.58 115.71 2aj0 h ASN 24 Ca -0.03 0.17 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 2aj0 h ASN 24 Cb 0.26 0.35 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 2aj0 h ASN 24 CO 0.05 -0.18 -0.04 0.58 -1.29 0.00 0.00 177.43 176.55 2aj0 h VAL 25 N 0.01 0.97 -0.96 2.81 2.07 -0.52 -2.31 116.25 118.32 2aj0 h VAL 25 Ca 0.27 -0.19 0.25 0.00 0.82 0.00 0.00 66.70 67.85 2aj0 h VAL 25 Cb 0.42 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2aj0 h VAL 25 CO -0.58 0.05 0.65 0.11 0.02 0.00 0.00 177.57 177.82 2aj0 h LYS 26 N -0.20 0.24 0.00 1.57 1.57 0.33 0.63 116.57 120.72 2aj0 h LYS 26 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2aj0 h LYS 26 Cb 0.16 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2aj0 h LYS 26 CO 0.02 0.16 -0.11 0.93 -0.57 0.00 0.00 179.45 179.87 2aj0 h GLU 27 N 0.25 0.00 -6.75 3.15 5.08 0.05 -3.44 114.58 112.92 2aj0 h GLU 27 Ca 0.50 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.36 2aj0 h GLU 27 Cb 1.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 2aj0 h GLU 27 CO -0.14 0.11 0.41 0.42 -1.00 0.00 0.00 179.01 178.82 2aj0 s ILE 28 N -3.73 3.83 -0.33 3.13 1.01 0.21 -4.96 121.20 120.36 2aj0 s ILE 28 Ca 0.00 1.80 0.21 0.00 0.00 0.00 0.00 60.65 62.67 2aj0 s ILE 28 Cb 0.10 -4.15 0.19 0.00 0.01 0.00 0.00 42.46 38.62 2aj0 s ILE 28 CO 0.59 0.41 1.41 -0.33 0.00 0.00 0.00 174.94 177.02 2aj0 h GLU 29 N 4.19 0.00 -0.05 2.79 5.08 -1.85 -3.33 114.58 121.40 2aj0 h GLU 29 Ca -0.46 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 2aj0 h GLU 29 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2aj0 h GLU 29 CO 0.68 0.09 -0.43 0.78 -1.00 0.00 0.00 179.01 179.14 2aj0 h GLY 30 N 3.91 0.13 -1.11 -3.84 0.00 -1.93 -3.45 103.07 96.79 2aj0 h GLY 30 Ca -0.01 -0.12 -0.37 0.00 0.00 0.00 0.00 47.33 46.83 2aj0 h GLY 30 CO 0.01 0.11 0.05 1.55 0.00 0.00 0.00 176.54 178.27 2aj0 n VAL 31 N -4.02 0.00 0.13 4.60 3.14 -1.25 -1.48 118.33 119.45 2aj0 n VAL 31 Ca -0.02 -1.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.06 2aj0 n VAL 31 Cb 0.47 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 2aj0 n VAL 31 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2aj0 n THR 32 N -2.40 0.00 -4.30 1.55 -1.04 0.11 -4.70 114.28 103.50 2aj0 n THR 32 Ca 0.13 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.84 2aj0 n THR 32 Cb 0.47 -0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.00 2.05 -0.13 -2.82 2.02 0.95 -4.98 118.70 113.80 2aj0 s GLU 33 Ca 0.00 -1.05 -0.05 0.00 0.02 0.00 0.00 54.97 53.89 2aj0 s GLU 33 Cb 0.00 -2.25 0.06 0.00 0.10 0.00 0.00 34.13 32.03 2aj0 s GLU 33 CO 0.00 0.51 0.28 0.00 0.02 0.00 0.00 175.26 176.06 2aj0 s ALA 34 N -1.16 -0.63 -0.33 5.21 0.00 -1.26 0.04 121.76 123.63 2aj0 s ALA 34 Ca 0.20 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2aj0 s ALA 34 Cb -0.11 -0.89 0.10 0.00 0.00 0.00 0.00 23.12 22.23 2aj0 s ALA 34 CO 0.12 -0.45 0.10 0.42 0.00 0.00 0.00 175.76 175.94 2aj0 s ILE 35 N 1.92 1.26 -0.06 0.00 1.01 0.08 -4.98 121.20 120.42 2aj0 s ILE 35 Ca -0.04 -1.73 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 2aj0 s ILE 35 Cb -0.11 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2aj0 s ILE 35 CO -0.09 -0.68 0.30 0.54 0.00 0.00 0.00 174.94 175.01 2aj0 s VAL 36 N 1.34 5.24 -0.52 2.92 0.11 -1.26 -0.57 120.40 127.65 2aj0 s VAL 36 Ca 0.11 0.58 0.06 0.00 -2.93 0.00 0.00 61.98 59.80 2aj0 s VAL 36 Cb -0.18 -3.59 0.23 0.00 -1.53 0.00 0.00 36.38 31.30 2aj0 s VAL 36 CO -0.19 0.57 0.56 0.59 -3.33 0.00 0.00 175.10 173.30 2aj0 n ASN 37 N 2.11 1.67 -0.00 3.54 3.02 -0.00 -4.91 115.26 120.69 2aj0 n ASN 37 Ca -0.16 -2.97 0.23 0.00 -0.03 0.00 0.00 54.58 51.65 2aj0 n ASN 37 Cb 0.53 -0.65 0.67 0.00 -0.61 0.00 0.00 39.78 39.72 2aj0 n ASN 37 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2aj0 h PHE 38 N 4.51 0.00 -0.00 3.10 -1.00 -1.96 -0.45 116.94 121.14 2aj0 h PHE 38 Ca 0.16 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.94 2aj0 h PHE 38 Cb 0.79 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.35 2aj0 h PHE 38 CO 0.51 0.00 0.15 0.78 -1.61 0.00 0.00 178.31 178.15 2aj0 h GLY 39 N 0.00 0.00 0.00 -1.45 0.00 -1.92 -3.39 103.07 96.31 2aj0 h GLY 39 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2aj0 h GLY 39 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2aj0 n ALA 40 N -2.00 0.00 -2.73 3.60 0.00 -0.18 -5.09 120.51 114.10 2aj0 n ALA 40 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2aj0 n ALA 40 Cb 0.21 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 -2.34 -3.73 0.00 7.64 -1.19 -4.92 113.62 109.08 2aj0 n SER 41 Ca 0.00 -3.70 -0.13 0.00 1.01 0.00 0.00 58.87 56.04 2aj0 n SER 41 Cb 0.00 1.93 -0.10 0.00 -1.01 0.00 0.00 64.21 65.04 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 0.27 0.53 -0.22 1.43 -2.85 -1.22 -2.93 119.74 114.74 2aj0 s LYS 42 Ca 0.22 0.51 -0.04 0.00 -1.00 0.00 0.00 55.97 55.67 2aj0 s LYS 42 Cb 0.29 0.25 0.10 0.00 -2.06 0.00 0.00 37.83 36.41 2aj0 s LYS 42 CO -0.05 -0.08 0.20 -1.50 0.10 0.00 0.00 175.35 174.02 2aj0 s ILE 43 N 0.05 -0.27 0.04 3.79 -1.16 0.22 -0.82 121.20 123.04 2aj0 s ILE 43 Ca -0.02 -0.27 -0.25 0.00 -0.51 0.00 0.00 60.65 59.60 2aj0 s ILE 43 Cb -0.03 -0.75 -0.05 0.00 0.61 0.00 0.00 42.46 42.23 2aj0 s ILE 43 CO 0.01 -0.33 0.78 -0.89 -2.81 0.00 0.00 174.94 171.71 2aj0 s THR 44 N 2.28 4.74 -0.02 4.00 2.01 0.27 -1.12 115.64 127.79 2aj0 s THR 44 Ca 0.07 1.66 0.07 0.00 0.31 0.00 0.00 61.69 63.80 2aj0 s THR 44 Cb -0.15 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 2aj0 s THR 44 CO -0.18 0.35 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.18 2aj0 s VAL 45 N 0.04 1.77 -0.12 3.82 1.01 0.38 -0.74 120.40 126.56 2aj0 s VAL 45 Ca 0.39 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2aj0 s VAL 45 Cb -0.21 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.74 2aj0 s VAL 45 CO 0.23 0.50 0.32 -0.89 0.00 0.00 0.00 175.10 175.26 2aj0 s THR 46 N -0.44 -0.01 0.00 3.92 2.01 0.11 -1.25 115.64 119.97 2aj0 s THR 46 Ca 0.06 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2aj0 s THR 46 Cb -0.09 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2aj0 s THR 46 CO -0.00 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2aj0 n GLY 47 N 3.33 -0.47 2.70 4.40 0.00 -1.26 0.05 105.19 113.93 2aj0 n GLY 47 Ca -0.17 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 1.21 -4.12 1.61 2.13 -0.55 -4.78 120.64 116.15 2aj0 n GLU 48 Ca 0.00 -1.78 -0.13 0.00 0.66 0.00 0.00 57.16 55.91 2aj0 n GLU 48 Cb 0.00 -0.01 -0.07 0.00 0.27 0.00 0.00 31.44 31.63 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 0.71 0.26 4.31 0.00 -1.22 -4.74 121.76 121.25 2aj0 s ALA 49 Ca 0.21 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.78 2aj0 s ALA 49 Cb 0.40 1.24 -0.05 0.00 0.00 0.00 0.00 23.12 24.71 2aj0 s ALA 49 CO -0.09 -0.73 -0.04 -1.12 0.00 0.00 0.00 175.76 173.77 2aj0 s SER 50 N -3.16 2.42 0.55 0.00 0.01 -1.26 -4.82 113.70 107.44 2aj0 s SER 50 Ca 0.32 -1.19 0.28 0.00 1.31 0.00 0.00 55.95 56.67 2aj0 s SER 50 Cb 0.02 -0.10 1.45 0.00 0.21 0.00 0.00 66.02 67.60 2aj0 s SER 50 CO 0.15 -0.39 1.96 -0.29 0.41 0.00 0.00 173.24 175.08 2aj0 h ILE 51 N 2.37 0.60 -0.64 1.44 6.09 -1.99 -2.00 117.51 123.38 2aj0 h ILE 51 Ca -0.39 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.22 2aj0 h ILE 51 Cb 1.23 0.69 -0.12 0.00 0.47 0.00 0.00 36.82 39.09 2aj0 h ILE 51 CO 0.66 0.00 -0.18 0.00 -3.07 0.00 0.00 178.15 175.56 2aj0 n GLN 52 N -4.16 -0.08 -0.12 2.19 1.13 -1.26 0.09 117.38 115.17 2aj0 n GLN 52 Ca 0.10 0.99 -0.12 0.00 -1.94 0.00 0.00 57.00 56.03 2aj0 n GLN 52 Cb 0.66 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.51 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 0.84 -0.38 -1.09 4.20 -1.79 -2.08 115.11 114.81 2aj0 h GLN 53 Ca 0.29 -0.40 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 2aj0 h GLN 53 Cb 0.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2aj0 h GLN 53 CO -0.65 1.03 -0.20 0.28 -0.67 0.00 0.00 178.83 178.62 2aj0 h VAL 54 N 0.64 1.27 0.26 -0.54 2.07 -0.50 -0.98 116.25 118.47 2aj0 h VAL 54 Ca 0.08 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2aj0 h VAL 54 Cb 0.82 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2aj0 h VAL 54 CO 0.07 0.43 -0.24 -0.08 0.02 0.00 0.00 177.57 177.77 2aj0 h GLU 55 N 0.65 -0.51 -0.06 1.57 4.22 -0.29 0.30 114.58 120.46 2aj0 h GLU 55 Ca 0.10 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.61 2aj0 h GLU 55 Cb 0.70 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2aj0 h GLU 55 CO 0.05 -0.34 -0.24 0.37 -2.18 0.00 0.00 179.01 176.67 2aj0 h GLN 56 N -0.53 -0.34 -0.54 1.92 -0.00 -1.07 0.07 115.11 114.62 2aj0 h GLN 56 Ca -0.01 0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.77 2aj0 h GLN 56 Cb 0.48 0.08 -0.08 0.00 0.00 0.00 0.00 27.48 27.95 2aj0 h GLN 56 CO -0.04 -0.22 0.04 0.00 0.00 0.00 0.00 178.83 178.61 2aj0 h ALA 57 N 0.54 0.56 0.00 3.38 0.00 -1.06 -0.48 119.26 122.20 2aj0 h ALA 57 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2aj0 h ALA 57 Cb 0.46 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2aj0 h ALA 57 CO -0.26 -0.36 0.36 0.78 0.00 0.00 0.00 179.25 179.77 2aj0 h GLY 58 N 0.16 0.00 0.07 0.00 0.00 0.15 -2.10 103.07 101.37 2aj0 h GLY 58 Ca 0.28 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.78 2aj0 h GLY 58 CO -0.42 0.00 0.80 0.00 0.00 0.00 0.00 176.54 176.92 2aj0 h ALA 59 N 1.23 2.39 -0.78 3.60 0.00 -0.27 0.37 119.26 125.80 2aj0 h ALA 59 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2aj0 h ALA 59 Cb 0.71 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2aj0 h ALA 59 CO 0.00 -1.10 0.52 0.27 0.00 0.00 0.00 179.25 178.93 2aj0 h PHE 60 N 0.00 0.49 0.00 0.00 -5.15 -1.61 -3.24 116.94 107.44 2aj0 h PHE 60 Ca 0.29 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 58.07 2aj0 h PHE 60 Cb 1.87 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 37.89 2aj0 h PHE 60 CO 0.00 0.18 -0.96 -1.91 -2.00 0.00 0.00 178.31 173.62 2aj0 n GLU 61 N -4.48 0.29 -2.21 6.09 4.07 0.42 -5.07 120.64 119.76 2aj0 n GLU 61 Ca 0.15 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.20 2aj0 n GLU 61 Cb 0.55 -0.98 0.02 0.00 -0.06 0.00 0.00 31.44 30.98 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 -1.46 -0.69 -1.48 4.31 8.25 0.10 -5.04 115.22 119.22 2aj0 n HIS 62 Ca 0.00 0.26 -0.30 0.00 -0.26 0.00 0.00 57.72 57.43 2aj0 n HIS 62 Cb 0.00 -2.94 0.11 0.00 1.12 0.00 0.00 29.99 28.28 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 -3.50 2.38 -0.17 2.41 2.01 -1.23 -5.00 118.68 115.57 2aj0 s LEU 63 Ca 0.07 1.26 0.01 0.00 0.01 0.00 0.00 54.13 55.48 2aj0 s LEU 63 Cb -0.01 -3.76 0.02 0.00 0.01 0.00 0.00 46.19 42.44 2aj0 s LEU 63 CO 0.22 -2.24 -0.20 -1.59 1.01 0.00 0.00 176.35 173.54 2aj0 s LYS 64 N -5.14 3.00 -0.01 1.70 0.00 -1.21 -4.98 119.74 113.10 2aj0 s LYS 64 Ca 0.62 -0.84 0.08 0.00 0.00 0.00 0.00 55.97 55.83 2aj0 s LYS 64 Cb -0.15 -2.54 -0.02 0.00 0.00 0.00 0.00 37.83 35.12 2aj0 s LYS 64 CO 0.55 -0.16 -0.24 0.42 0.00 0.00 0.00 175.35 175.91 2aj0 s ILE 65 N 1.18 1.93 -0.06 3.79 1.01 -1.26 -1.42 121.20 126.36 2aj0 s ILE 65 Ca 0.02 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.63 2aj0 s ILE 65 Cb -0.14 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.74 2aj0 s ILE 65 CO -0.10 0.51 -0.15 -0.63 0.00 0.00 0.00 174.94 174.57 2aj0 s ILE 66 N -0.60 1.31 -0.69 2.92 1.09 0.41 -4.96 121.20 120.68 2aj0 s ILE 66 Ca 0.09 -0.60 -0.26 0.00 -1.10 0.00 0.00 60.65 58.78 2aj0 s ILE 66 Cb -0.09 -1.16 -0.02 0.00 -1.06 0.00 0.00 42.46 40.13 2aj0 s ILE 66 CO -0.01 0.39 1.80 -2.16 -0.10 0.00 0.00 174.94 174.86 2aj0 s PRO 67 N 0.43 2.71 0.23 2.79 0.04 -1.26 -0.92 135.00 139.01 2aj0 s PRO 67 Ca -0.12 0.29 -0.08 0.00 0.04 0.00 0.00 61.00 61.14 2aj0 s PRO 67 Cb -0.15 -4.52 0.39 0.00 0.04 0.00 0.00 34.50 30.26 2aj0 s PRO 67 CO 0.04 -2.77 1.67 1.49 0.04 0.00 0.00 177.00 177.47 2aj0 h GLU 68 N 13.56 0.19 0.00 4.56 4.81 -1.92 -3.45 114.58 132.33 2aj0 h GLU 68 Ca -0.18 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2aj0 h GLU 68 Cb 1.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2aj0 h GLU 68 CO 1.23 0.13 0.00 1.17 -0.73 0.00 0.00 179.01 180.81 2aj0 n LYS 69 N -5.22 0.00 0.06 1.92 0.00 -1.26 -3.48 118.16 110.18 2aj0 n LYS 69 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 2aj0 n LYS 69 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 2aj0 n LYS 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2aj0 n GLU 70 N 0.00 0.00 0.00 1.64 2.13 -1.26 -5.17 120.64 117.98 2aj0 n GLU 70 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2aj0 n GLU 70 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72