#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 -2.46 -2.39 -5.12 0.00 -1.26 -5.04 120.51 104.24 2aj0 n ALA 2 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 2aj0 n ALA 2 Cb 0.00 -5.19 -0.08 0.00 0.00 0.00 0.00 19.45 14.18 2aj0 n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2aj0 s GLU 3 N -4.81 1.69 0.56 0.00 2.02 -1.26 -4.95 118.70 111.94 2aj0 s GLU 3 Ca 0.43 -1.89 -0.12 0.00 0.02 0.00 0.00 54.97 53.41 2aj0 s GLU 3 Cb -0.08 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 2aj0 s GLU 3 CO 0.77 -0.63 0.97 -1.59 0.02 0.00 0.00 175.26 174.79 2aj0 s LYS 4 N -3.51 3.70 0.16 1.61 -2.85 -1.26 -4.63 119.74 112.96 2aj0 s LYS 4 Ca 0.38 0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 55.89 2aj0 s LYS 4 Cb 0.03 -2.16 0.04 0.00 -2.06 0.00 0.00 37.83 33.68 2aj0 s LYS 4 CO 0.23 -0.40 0.49 0.99 0.10 0.00 0.00 175.35 176.76 2aj0 s THR 5 N -2.91 0.04 0.01 3.79 2.01 -0.11 -5.00 115.64 113.47 2aj0 s THR 5 Ca 0.55 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2aj0 s THR 5 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 2aj0 s THR 5 CO 0.45 -0.18 -0.08 0.54 -0.69 0.00 0.00 174.62 174.67 2aj0 s VAL 6 N -3.82 0.59 0.14 3.82 0.11 -1.26 -0.43 120.40 119.54 2aj0 s VAL 6 Ca 0.05 -0.51 0.07 0.00 -2.93 0.00 0.00 61.98 58.67 2aj0 s VAL 6 Cb 0.00 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2aj0 s VAL 6 CO -0.08 0.03 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.24 2aj0 s TYR 7 N -0.46 1.64 -0.36 1.54 1.51 -0.05 -4.55 117.35 116.63 2aj0 s TYR 7 Ca 0.00 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.36 2aj0 s TYR 7 Cb -0.04 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 2aj0 s TYR 7 CO 0.00 0.24 0.59 1.03 -1.11 0.00 0.00 175.55 176.30 2aj0 s ARG 8 N -2.67 3.64 -0.14 -0.62 1.81 -0.25 -0.63 118.95 120.09 2aj0 s ARG 8 Ca 0.12 -0.05 -0.07 0.00 -1.72 0.00 0.00 55.73 54.01 2aj0 s ARG 8 Cb -0.06 -3.81 -0.04 0.00 -0.45 0.00 0.00 34.95 30.59 2aj0 s ARG 8 CO 0.05 -0.71 0.12 0.54 -0.68 0.00 0.00 175.30 174.63 2aj0 s VAL 9 N 2.58 5.37 0.04 3.52 0.11 -1.25 -0.60 120.40 130.17 2aj0 s VAL 9 Ca 0.22 0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2aj0 s VAL 9 Cb -0.15 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2aj0 s VAL 9 CO 0.14 0.57 -0.03 -1.81 -3.33 0.00 0.00 175.10 170.64 2aj0 s ASP 10 N -0.61 0.46 0.00 3.54 1.01 -1.06 -3.95 116.67 116.05 2aj0 s ASP 10 Ca 0.13 -0.82 0.00 0.00 0.71 0.00 0.00 52.55 52.56 2aj0 s ASP 10 Cb -0.12 0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.97 2aj0 s ASP 10 CO 0.02 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.53 2aj0 n GLY 11 N 0.63 1.95 3.96 0.21 0.00 -1.26 -3.30 105.19 107.38 2aj0 n GLY 11 Ca -0.17 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 3.04 -0.48 0.99 0.05 -1.26 -5.06 118.68 115.96 2aj0 s LEU 12 Ca 0.00 0.14 0.07 0.00 0.05 0.00 0.00 54.13 54.39 2aj0 s LEU 12 Cb 0.00 -2.84 0.18 0.00 -2.05 0.00 0.00 46.19 41.49 2aj0 s LEU 12 CO 0.00 -1.45 0.66 -0.44 -0.55 0.00 0.00 176.35 174.57 2aj0 s SER 13 N -4.51 -1.18 -0.25 1.48 0.01 -1.26 -4.18 113.70 103.81 2aj0 s SER 13 Ca 0.60 -1.56 -0.21 0.00 1.31 0.00 0.00 55.95 56.09 2aj0 s SER 13 Cb -0.10 1.71 0.07 0.00 0.21 0.00 0.00 66.02 67.91 2aj0 s SER 13 CO 0.42 -0.10 0.65 0.00 0.41 0.00 0.00 173.24 174.62 2aj0 h THR 15 N 4.34 1.11 -0.97 0.00 2.02 -1.98 -0.71 112.91 116.73 2aj0 h THR 15 Ca -0.29 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.62 2aj0 h THR 15 Cb 1.18 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 2aj0 h THR 15 CO 0.11 0.11 0.63 0.78 0.37 0.00 0.00 175.52 177.52 2aj0 h ASN 16 N 0.34 1.12 -0.51 4.18 4.21 -1.99 0.14 115.58 123.07 2aj0 h ASN 16 Ca 0.10 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 2aj0 h ASN 16 Cb 0.04 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.93 2aj0 h ASN 16 CO -0.02 0.82 0.31 0.00 -1.29 0.00 0.00 177.43 177.25 2aj0 h ALA 18 N 1.15 0.65 -0.09 0.00 0.00 0.47 0.13 119.26 121.57 2aj0 h ALA 18 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2aj0 h ALA 18 Cb -0.02 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2aj0 h ALA 18 CO -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 179.25 178.90 2aj0 h ALA 19 N 1.39 0.02 -0.54 0.00 0.00 -0.36 0.87 119.26 120.65 2aj0 h ALA 19 Ca 0.27 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2aj0 h ALA 19 Cb 0.35 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2aj0 h ALA 19 CO -0.31 -0.52 -0.14 -0.22 0.00 0.00 0.00 179.25 178.06 2aj0 h LYS 20 N -0.07 -0.00 0.61 0.00 1.63 -0.43 -0.92 116.57 117.40 2aj0 h LYS 20 Ca 0.06 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2aj0 h LYS 20 Cb 0.15 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.79 2aj0 h LYS 20 CO -0.14 -0.00 -0.29 0.35 -3.45 0.00 0.00 179.45 175.92 2aj0 h PHE 21 N -0.00 -0.76 -0.90 1.91 3.57 0.28 0.61 116.94 121.64 2aj0 h PHE 21 Ca 0.26 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.77 2aj0 h PHE 21 Cb 0.40 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 2aj0 h PHE 21 CO -0.45 -0.42 0.59 1.05 -2.23 0.00 0.00 178.31 176.84 2aj0 h GLU 22 N -1.03 1.12 0.00 1.11 4.11 -0.78 0.18 114.58 119.30 2aj0 h GLU 22 Ca -0.08 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.28 2aj0 h GLU 22 Cb 0.68 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2aj0 h GLU 22 CO 0.14 0.74 -0.00 -0.09 0.07 0.00 0.00 179.01 179.87 2aj0 h ARG 23 N 1.16 -0.00 -0.56 1.06 2.43 -1.10 0.19 114.38 117.55 2aj0 h ARG 23 Ca 0.35 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.63 2aj0 h ARG 23 Cb -0.04 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.40 2aj0 h ARG 23 CO -0.11 0.09 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.37 2aj0 h ASN 24 N -0.09 -0.62 0.08 -3.80 2.35 -0.16 0.20 115.58 113.54 2aj0 h ASN 24 Ca -0.00 0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2aj0 h ASN 24 Cb 0.09 0.38 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2aj0 h ASN 24 CO 0.00 -0.21 -0.13 0.58 -1.65 0.00 0.00 177.43 176.02 2aj0 h VAL 25 N -0.03 0.70 -1.01 2.81 2.07 -0.40 -1.68 116.25 118.70 2aj0 h VAL 25 Ca 0.27 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.02 2aj0 h VAL 25 Cb 0.44 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 2aj0 h VAL 25 CO -0.60 0.00 0.61 0.11 0.02 0.00 0.00 177.57 177.71 2aj0 h LYS 26 N -0.26 0.61 0.00 1.57 6.56 0.38 0.81 116.57 126.24 2aj0 h LYS 26 Ca 0.02 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2aj0 h LYS 26 Cb 0.28 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2aj0 h LYS 26 CO -0.07 0.40 0.00 0.93 -2.06 0.00 0.00 179.45 178.65 2aj0 h GLU 27 N 0.62 0.00 -6.21 3.15 5.08 0.29 -3.43 114.58 114.09 2aj0 h GLU 27 Ca 0.62 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.42 2aj0 h GLU 27 Cb 1.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2aj0 h GLU 27 CO -0.44 0.00 0.80 0.42 -1.00 0.00 0.00 179.01 178.79 2aj0 s ILE 28 N -3.79 4.34 0.13 3.13 1.01 0.28 -4.91 121.20 121.39 2aj0 s ILE 28 Ca -0.00 1.64 0.34 0.00 0.00 0.00 0.00 60.65 62.63 2aj0 s ILE 28 Cb 0.10 -4.06 0.37 0.00 0.01 0.00 0.00 42.46 38.88 2aj0 s ILE 28 CO 0.51 -0.08 2.02 -0.33 0.00 0.00 0.00 174.94 177.05 2aj0 h GLU 29 N 7.79 0.00 -0.15 2.79 5.08 -1.85 -2.81 114.58 125.43 2aj0 h GLU 29 Ca -0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 2aj0 h GLU 29 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2aj0 h GLU 29 CO 0.93 0.00 -0.50 0.78 -1.00 0.00 0.00 179.01 179.23 2aj0 h GLY 30 N 1.35 0.42 -0.52 -3.84 0.00 -1.91 -3.46 103.07 95.11 2aj0 h GLY 30 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 2aj0 h GLY 30 CO 0.00 0.41 0.04 1.55 0.00 0.00 0.00 176.54 178.54 2aj0 n VAL 31 N -3.97 0.00 0.09 4.60 3.14 -1.06 -2.58 118.33 118.56 2aj0 n VAL 31 Ca -0.02 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 2aj0 n VAL 31 Cb 0.56 -1.17 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 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 -1.92 0.35 -4.52 1.55 -1.04 -1.23 -4.68 114.28 102.79 2aj0 n THR 32 Ca 0.06 0.12 -0.25 0.00 -2.04 0.00 0.00 64.05 61.94 2aj0 n THR 32 Cb 0.23 -0.78 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 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 -1.80 1.78 -0.25 -2.82 0.41 0.60 -4.89 118.70 111.73 2aj0 s GLU 33 Ca 0.00 -1.91 -0.20 0.00 -0.41 0.00 0.00 54.97 52.45 2aj0 s GLU 33 Cb 0.00 -1.65 0.07 0.00 -1.78 0.00 0.00 34.13 30.77 2aj0 s GLU 33 CO 0.00 0.15 0.65 0.00 -0.49 0.00 0.00 175.26 175.57 2aj0 s ALA 34 N -2.65 -1.65 -0.33 5.21 0.00 -1.26 -0.13 121.76 120.95 2aj0 s ALA 34 Ca 0.32 1.99 0.04 0.00 0.00 0.00 0.00 51.96 54.30 2aj0 s ALA 34 Cb 0.02 -1.16 0.09 0.00 0.00 0.00 0.00 23.12 22.07 2aj0 s ALA 34 CO 0.16 -0.33 0.03 0.42 0.00 0.00 0.00 175.76 176.05 2aj0 s ILE 35 N 0.78 2.30 0.09 0.00 1.09 0.44 -4.96 121.20 120.94 2aj0 s ILE 35 Ca -0.03 -2.24 -0.25 0.00 -1.10 0.00 0.00 60.65 57.03 2aj0 s ILE 35 Cb -0.05 -2.65 -0.07 0.00 -1.06 0.00 0.00 42.46 38.63 2aj0 s ILE 35 CO -0.06 -0.53 0.75 0.54 -0.10 0.00 0.00 174.94 175.55 2aj0 s VAL 36 N 0.93 4.59 -0.14 2.92 0.11 -1.26 -0.57 120.40 126.98 2aj0 s VAL 36 Ca 0.08 1.62 -0.08 0.00 -2.93 0.00 0.00 61.98 60.66 2aj0 s VAL 36 Cb -0.19 -4.10 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 2aj0 s VAL 36 CO -0.07 0.44 -0.15 0.78 -3.33 0.00 0.00 175.10 172.77 2aj0 h ASN 37 N 5.04 0.00 -2.48 3.54 2.35 -1.45 -3.49 115.58 119.10 2aj0 h ASN 37 Ca -0.46 -0.01 0.27 0.00 -0.55 0.00 0.00 56.30 55.55 2aj0 h ASN 37 Cb 1.21 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.51 2aj0 h ASN 37 CO 0.68 0.74 -0.36 0.49 -1.65 0.00 0.00 177.43 177.33 2aj0 n PHE 38 N -4.63 -3.13 -2.78 1.19 3.01 -1.25 -4.96 117.46 104.91 2aj0 n PHE 38 Ca -0.07 1.25 -0.12 0.00 1.01 0.00 0.00 57.45 59.52 2aj0 n PHE 38 Cb 0.24 -2.25 0.03 0.00 -0.01 0.00 0.00 39.48 37.49 2aj0 n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aj0 n GLY 39 N -2.97 0.06 2.26 1.37 0.00 -1.26 -4.13 105.19 100.51 2aj0 n GLY 39 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.03 -2.42 -2.00 4.61 0.00 -1.26 -5.04 120.51 111.37 2aj0 n ALA 40 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2aj0 n ALA 40 Cb 0.56 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.99 0.00 -3.71 0.00 7.64 -1.25 -5.12 113.62 110.19 2aj0 n SER 41 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 2aj0 n SER 41 Cb 0.39 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 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 2.41 1.53 -0.12 1.43 -2.85 -1.26 -3.89 119.74 116.98 2aj0 s LYS 42 Ca 0.00 -0.82 -0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2aj0 s LYS 42 Cb 0.00 0.57 0.03 0.00 -2.06 0.00 0.00 37.83 36.37 2aj0 s LYS 42 CO 0.00 -0.68 -0.07 -1.50 0.10 0.00 0.00 175.35 173.20 2aj0 s ILE 43 N -3.86 1.04 0.09 3.79 -1.16 0.19 -0.95 121.20 120.34 2aj0 s ILE 43 Ca 0.08 -0.35 -0.09 0.00 -0.51 0.00 0.00 60.65 59.78 2aj0 s ILE 43 Cb -0.03 -1.09 -0.06 0.00 0.61 0.00 0.00 42.46 41.89 2aj0 s ILE 43 CO -0.01 0.32 0.41 -0.89 -2.81 0.00 0.00 174.94 171.96 2aj0 s THR 44 N 1.70 5.09 -0.03 4.00 2.01 0.26 -0.87 115.64 127.79 2aj0 s THR 44 Ca 0.04 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.48 2aj0 s THR 44 Cb -0.13 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2aj0 s THR 44 CO -0.08 0.25 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.32 2aj0 s VAL 45 N -1.44 0.83 -0.43 3.82 1.01 0.42 -0.42 120.40 124.19 2aj0 s VAL 45 Ca 0.34 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2aj0 s VAL 45 Cb -0.14 -0.75 0.21 0.00 0.00 0.00 0.00 36.38 35.70 2aj0 s VAL 45 CO 0.19 0.26 0.53 0.41 0.00 0.00 0.00 175.10 176.49 2aj0 n THR 46 N 3.45 -0.71 0.00 3.92 -1.04 0.81 -0.94 114.28 119.78 2aj0 n THR 46 Ca -0.20 -2.99 0.00 0.00 -2.04 0.00 0.00 64.05 58.83 2aj0 n THR 46 Cb 0.53 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 2aj0 n THR 46 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aj0 n GLY 47 N 2.24 2.15 2.36 3.41 0.00 -1.26 -0.29 105.19 113.79 2aj0 n GLY 47 Ca 0.22 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 1.00 -3.82 1.61 0.00 -1.06 -4.36 120.64 114.01 2aj0 n GLU 48 Ca 0.00 -3.00 -0.09 0.00 0.00 0.00 0.00 57.16 54.06 2aj0 n GLU 48 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 29.89 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 -1.80 -0.41 0.28 4.31 0.00 -1.25 -4.52 121.76 118.37 2aj0 s ALA 49 Ca 0.35 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.88 2aj0 s ALA 49 Cb 0.35 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 24.11 2aj0 s ALA 49 CO -0.07 -0.61 0.08 -1.12 0.00 0.00 0.00 175.76 174.04 2aj0 s SER 50 N -2.88 4.81 0.38 0.00 0.01 -1.26 -4.93 113.70 109.84 2aj0 s SER 50 Ca 0.08 -0.59 0.15 0.00 1.31 0.00 0.00 55.95 56.90 2aj0 s SER 50 Cb 0.03 -0.94 1.00 0.00 0.21 0.00 0.00 66.02 66.32 2aj0 s SER 50 CO -0.07 -0.09 1.82 -0.29 0.41 0.00 0.00 173.24 175.01 2aj0 h ILE 51 N 1.70 0.66 -0.78 1.44 6.09 -1.99 -2.75 117.51 121.87 2aj0 h ILE 51 Ca -0.45 -0.17 0.20 0.00 -1.37 0.00 0.00 64.86 63.07 2aj0 h ILE 51 Cb 1.25 0.11 -0.15 0.00 0.47 0.00 0.00 36.82 38.50 2aj0 h ILE 51 CO 0.61 0.09 -0.03 0.00 -3.07 0.00 0.00 178.15 175.75 2aj0 n GLN 52 N -4.59 -0.06 -0.17 2.19 1.13 -1.26 0.49 117.38 115.10 2aj0 n GLN 52 Ca 0.22 1.17 -0.10 0.00 -1.94 0.00 0.00 57.00 56.35 2aj0 n GLN 52 Cb 0.70 -1.84 0.02 0.00 0.11 0.00 0.00 30.24 29.23 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 1.01 -0.30 -1.09 4.20 -1.92 0.53 115.11 117.55 2aj0 h GLN 53 Ca 0.45 -0.39 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2aj0 h GLN 53 Cb 0.88 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2aj0 h GLN 53 CO -0.75 1.07 -0.12 0.28 -0.67 0.00 0.00 178.83 178.65 2aj0 h VAL 54 N 0.89 1.29 -0.42 -0.54 2.07 -0.14 -2.56 116.25 116.84 2aj0 h VAL 54 Ca 0.13 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.53 2aj0 h VAL 54 Cb 0.72 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2aj0 h VAL 54 CO 0.05 0.38 0.01 -0.08 0.02 0.00 0.00 177.57 177.96 2aj0 h GLU 55 N 0.37 0.12 -0.21 1.57 4.81 -0.33 0.12 114.58 121.02 2aj0 h GLU 55 Ca 0.07 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2aj0 h GLU 55 Cb 0.63 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 2aj0 h GLU 55 CO 0.04 0.08 -0.19 0.37 -0.73 0.00 0.00 179.01 178.58 2aj0 h GLN 56 N 0.12 -0.19 -0.34 1.92 5.75 -0.72 -0.10 115.11 121.55 2aj0 h GLN 56 Ca 0.21 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.78 2aj0 h GLN 56 Cb 0.30 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 2aj0 h GLN 56 CO -0.34 -0.13 -0.02 0.00 -2.65 0.00 0.00 178.83 175.70 2aj0 h ALA 57 N 0.90 0.29 0.00 3.38 0.00 -1.00 -1.74 119.26 121.08 2aj0 h ALA 57 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2aj0 h ALA 57 Cb 0.38 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2aj0 h ALA 57 CO -0.33 -0.41 0.18 0.41 0.00 0.00 0.00 179.25 179.10 2aj0 n GLY 58 N -1.25 -0.62 0.55 0.00 0.00 0.36 -1.35 105.19 102.88 2aj0 n GLY 58 Ca 0.01 0.11 0.40 0.00 0.00 0.00 0.00 46.02 46.54 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 1.48 3.12 -1.03 4.61 0.00 -0.25 0.23 119.26 127.43 2aj0 h ALA 59 Ca 0.00 0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.18 2aj0 h ALA 59 Cb 0.35 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 2aj0 h ALA 59 CO 0.00 -1.64 0.65 0.27 0.00 0.00 0.00 179.25 178.53 2aj0 h PHE 60 N 0.07 0.72 0.00 0.00 -5.15 -1.44 -2.23 116.94 108.91 2aj0 h PHE 60 Ca 0.77 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 58.57 2aj0 h PHE 60 Cb 2.75 -0.21 0.00 0.00 0.22 0.00 0.00 35.95 38.71 2aj0 h PHE 60 CO -0.00 0.08 -0.03 0.39 -2.00 0.00 0.00 178.31 176.74 2aj0 n GLU 61 N -4.66 1.92 -3.41 6.09 -0.58 -0.25 -5.03 120.64 114.72 2aj0 n GLU 61 Ca 0.25 -1.42 -0.18 0.00 -0.42 0.00 0.00 57.16 55.39 2aj0 n GLU 61 Cb 0.84 -0.94 0.08 0.00 -0.57 0.00 0.00 31.44 30.85 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 -0.51 -2.25 -1.70 -0.32 8.25 0.66 -4.90 115.22 114.46 2aj0 n HIS 62 Ca 0.02 0.92 -0.34 0.00 -0.26 0.00 0.00 57.72 58.06 2aj0 n HIS 62 Cb 0.39 -4.96 0.06 0.00 1.12 0.00 0.00 29.99 26.61 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 -6.38 3.44 -0.25 2.41 1.02 -0.88 -4.96 118.68 113.09 2aj0 s LEU 63 Ca 0.12 2.28 0.01 0.00 0.02 0.00 0.00 54.13 56.55 2aj0 s LEU 63 Cb -0.05 -4.58 0.07 0.00 0.02 0.00 0.00 46.19 41.64 2aj0 s LEU 63 CO 0.70 -1.90 -0.04 -1.59 0.02 0.00 0.00 176.35 173.55 2aj0 s LYS 64 N -3.77 1.56 -0.17 1.70 0.00 -1.21 -4.86 119.74 113.00 2aj0 s LYS 64 Ca 0.73 -1.06 -0.02 0.00 0.00 0.00 0.00 55.97 55.62 2aj0 s LYS 64 Cb -0.27 -2.60 -0.01 0.00 0.00 0.00 0.00 37.83 34.95 2aj0 s LYS 64 CO 0.40 -0.65 -0.08 0.42 0.00 0.00 0.00 175.35 175.44 2aj0 s ILE 65 N 1.37 3.29 -0.17 3.79 1.01 -1.26 -2.57 121.20 126.67 2aj0 s ILE 65 Ca -0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2aj0 s ILE 65 Cb -0.19 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2aj0 s ILE 65 CO -0.07 0.48 0.05 -0.63 0.00 0.00 0.00 174.94 174.77 2aj0 s ILE 66 N 0.76 4.65 -0.44 2.92 1.09 0.23 -4.92 121.20 125.49 2aj0 s ILE 66 Ca -0.03 -0.09 -0.27 0.00 -1.10 0.00 0.00 60.65 59.16 2aj0 s ILE 66 Cb -0.15 -3.08 -0.03 0.00 -1.06 0.00 0.00 42.46 38.14 2aj0 s ILE 66 CO 0.02 0.48 1.97 -2.16 -0.10 0.00 0.00 174.94 175.15 2aj0 s PRO 67 N 0.21 2.87 0.87 2.79 0.04 -1.26 -1.08 135.00 139.43 2aj0 s PRO 67 Ca 0.03 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 2aj0 s PRO 67 Cb -0.12 -4.35 0.02 0.00 0.04 0.00 0.00 34.50 30.09 2aj0 s PRO 67 CO 0.01 -2.41 0.52 0.39 0.04 0.00 0.00 177.00 175.54 2aj0 n GLU 68 N 8.81 -0.07 -2.36 4.56 -0.58 -1.26 -4.95 120.64 124.79 2aj0 n GLU 68 Ca 0.25 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.67 2aj0 n GLU 68 Cb 0.50 -1.90 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 2aj0 n GLU 68 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2aj0 s LYS 69 N -3.42 3.64 -1.16 3.49 2.47 -1.26 -4.88 119.74 118.63 2aj0 s LYS 69 Ca 0.61 1.57 -0.23 0.00 -1.56 0.00 0.00 55.97 56.36 2aj0 s LYS 69 Cb -0.26 -2.17 -0.11 0.00 -1.46 0.00 0.00 37.83 33.83 2aj0 s LYS 69 CO 0.63 -0.60 1.95 0.39 0.16 0.00 0.00 175.35 177.88 2aj0 n GLU 70 N -0.91 1.41 -0.92 4.03 -0.58 -1.26 -5.20 120.64 117.22 2aj0 n GLU 70 Ca 0.09 -2.36 0.00 0.00 -0.42 0.00 0.00 57.16 54.48 2aj0 n GLU 70 Cb 0.51 -3.73 0.00 0.00 -0.57 0.00 0.00 31.44 27.65 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65