#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj0 s ALA 3 N 0.00 -1.89 0.40 0.55 0.00 -1.26 -5.14 121.76 114.42 1lj0 s ALA 3 Ca 0.00 2.17 -0.26 0.00 0.00 0.00 0.00 51.96 53.88 1lj0 s ALA 3 Cb 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 23.12 21.66 1lj0 s ALA 3 CO 0.00 -0.34 1.17 0.28 0.00 0.00 0.00 175.76 176.87 1lj0 n VAL 4 N 3.32 2.40 -4.11 0.00 0.31 -1.26 -4.97 118.33 114.04 1lj0 n VAL 4 Ca -0.16 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.32 1lj0 n VAL 4 Cb 0.57 -1.40 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 1lj0 n VAL 4 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1lj0 s THR 5 N -1.20 4.71 0.09 2.52 2.01 -1.26 -5.04 115.64 117.47 1lj0 s THR 5 Ca 0.61 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.60 1lj0 s THR 5 Cb -0.55 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1lj0 s THR 5 CO 0.58 0.52 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.60 1lj0 s TYR 6 N -0.15 2.68 -0.04 4.92 2.02 -1.26 -0.87 117.35 124.65 1lj0 s TYR 6 Ca 0.07 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1lj0 s TYR 6 Cb -0.12 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1lj0 s TYR 6 CO 0.01 0.39 -0.05 0.71 -1.57 0.00 0.00 175.55 175.04 1lj0 s TYR 7 N -1.13 0.73 0.44 2.71 2.02 -0.33 -4.89 117.35 116.89 1lj0 s TYR 7 Ca 0.19 -0.19 -0.17 0.00 -0.37 0.00 0.00 57.07 56.53 1lj0 s TYR 7 Cb -0.11 -0.62 -0.09 0.00 -0.40 0.00 0.00 41.96 40.74 1lj0 s TYR 7 CO 0.11 -0.16 0.90 1.03 -1.57 0.00 0.00 175.55 175.86 1lj0 s ARG 8 N 0.75 4.01 0.49 -0.62 0.52 -1.26 -1.03 118.95 121.81 1lj0 s ARG 8 Ca -0.10 0.88 0.14 0.00 -0.52 0.00 0.00 55.73 56.13 1lj0 s ARG 8 Cb -0.13 -2.23 1.17 0.00 0.52 0.00 0.00 34.95 34.28 1lj0 s ARG 8 CO 0.00 -0.10 2.12 -0.07 0.02 0.00 0.00 175.30 177.27 1lj0 h LEU 9 N 1.45 0.12 -0.99 2.53 3.38 -1.93 -1.49 115.31 118.37 1lj0 h LEU 9 Ca -0.48 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1lj0 h LEU 9 Cb 1.18 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1lj0 h LEU 9 CO 0.62 0.08 0.66 -0.08 0.09 0.00 0.00 178.44 179.81 1lj0 h GLU 10 N 0.14 1.29 -0.52 1.13 4.81 -1.97 0.65 114.58 120.11 1lj0 h GLU 10 Ca 0.05 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1lj0 h GLU 10 Cb 0.03 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1lj0 h GLU 10 CO -0.01 0.86 -0.09 0.93 -0.73 0.00 0.00 179.01 179.97 1lj0 h GLU 11 N 1.33 0.96 -0.28 1.92 4.39 -1.66 -2.89 114.58 118.35 1lj0 h GLU 11 Ca 0.37 -0.34 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1lj0 h GLU 11 Cb -0.13 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1lj0 h GLU 11 CO -0.09 1.00 -0.34 0.28 -1.16 0.00 0.00 179.01 178.71 1lj0 h VAL 12 N 0.87 1.29 0.00 3.13 2.07 -1.07 -2.99 116.25 119.55 1lj0 h VAL 12 Ca 0.14 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1lj0 h VAL 12 Cb 0.63 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1lj0 h VAL 12 CO 0.04 0.47 -0.07 0.00 0.02 0.00 0.00 177.57 178.03 1lj0 h ALA 13 N 1.12 1.21 0.00 1.67 0.00 -0.68 -2.38 119.26 120.20 1lj0 h ALA 13 Ca 0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1lj0 h ALA 13 Cb 0.83 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1lj0 h ALA 13 CO 0.07 0.09 -0.52 0.87 0.00 0.00 0.00 179.25 179.76 1lj0 h LYS 14 N 0.00 0.00 -4.42 0.00 1.57 -1.46 -3.39 116.57 108.87 1lj0 h LYS 14 Ca -0.00 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.03 1lj0 h LYS 14 Cb 0.28 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.39 1lj0 h LYS 14 CO 0.01 0.52 1.22 0.54 -0.57 0.00 0.00 179.45 181.17 1lj0 n ARG 15 N -3.58 3.44 -0.79 3.15 3.00 -0.90 -4.67 116.66 116.31 1lj0 n ARG 15 Ca -0.00 -3.96 0.04 0.00 -0.01 0.00 0.00 57.85 53.91 1lj0 n ARG 15 Cb 0.60 -2.93 0.06 0.00 0.00 0.00 0.00 32.46 30.19 1lj0 n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1lj0 n ASN 16 N 4.90 0.92 -4.25 0.55 6.94 -1.15 -1.64 115.26 121.53 1lj0 n ASN 16 Ca 0.34 -2.42 -0.20 0.00 -0.02 0.00 0.00 54.58 52.29 1lj0 n ASN 16 Cb 0.41 -0.31 -0.12 0.00 -2.36 0.00 0.00 39.78 37.41 1lj0 n ASN 16 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1lj0 s THR 17 N -0.86 1.43 0.41 5.53 -4.23 -1.23 -4.87 115.64 111.82 1lj0 s THR 17 Ca 0.21 -1.64 0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1lj0 s THR 17 Cb 0.22 -1.50 0.48 0.00 1.34 0.00 0.00 72.50 73.04 1lj0 s THR 17 CO -0.06 -0.30 1.39 -1.54 -0.54 0.00 0.00 174.62 173.56 1lj0 n SER 18 N 0.73 0.16 0.05 3.99 3.41 -1.26 0.13 113.62 120.84 1lj0 n SER 18 Ca -0.17 1.19 0.03 0.00 -0.26 0.00 0.00 58.87 59.66 1lj0 n SER 18 Cb 0.56 -0.58 0.40 0.00 -0.26 0.00 0.00 64.21 64.32 1lj0 n SER 18 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1lj0 h GLU 19 N 0.00 0.41 -0.93 4.33 4.81 -1.95 -3.41 114.58 117.84 1lj0 h GLU 19 Ca 0.79 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 60.03 1lj0 h GLU 19 Cb 2.64 -0.08 -0.21 0.00 0.63 0.00 0.00 28.75 31.73 1lj0 h GLU 19 CO -0.36 0.38 -0.31 -2.00 -0.73 0.00 0.00 179.01 175.99 1lj0 s GLU 20 N -5.12 0.53 -0.26 1.92 2.12 0.12 -5.01 118.70 112.99 1lj0 s GLU 20 Ca -0.07 0.64 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 1lj0 s GLU 20 Cb 0.16 0.32 0.03 0.00 0.26 0.00 0.00 34.13 34.90 1lj0 s GLU 20 CO 0.74 -0.86 -0.03 0.99 -0.54 0.00 0.00 175.26 175.56 1lj0 s THR 21 N 2.85 3.07 0.25 -1.70 2.01 -1.23 -2.91 115.64 117.98 1lj0 s THR 21 Ca 0.14 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.22 1lj0 s THR 21 Cb -0.11 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1lj0 s THR 21 CO -0.24 0.15 0.04 0.26 -0.69 0.00 0.00 174.62 174.14 1lj0 s TRP 22 N 1.35 2.81 -0.03 4.92 0.51 -0.65 -0.45 118.94 127.40 1lj0 s TRP 22 Ca -0.00 -0.18 -0.21 0.00 -2.12 0.00 0.00 56.10 53.59 1lj0 s TRP 22 Cb -0.17 -1.27 0.04 0.00 -0.81 0.00 0.00 33.47 31.26 1lj0 s TRP 22 CO -0.03 0.58 0.44 1.41 -0.51 0.00 0.00 176.95 178.84 1lj0 s MET 23 N -3.58 0.81 -0.10 4.98 1.75 -0.22 0.17 119.30 123.11 1lj0 s MET 23 Ca 0.31 -0.03 -0.02 0.00 -1.25 0.00 0.00 55.69 54.71 1lj0 s MET 23 Cb -0.07 0.37 -0.03 0.00 2.84 0.00 0.00 34.83 37.94 1lj0 s MET 23 CO 0.21 -0.23 -0.02 0.08 -0.65 0.00 0.00 175.02 174.40 1lj0 s VAL 24 N -1.27 4.07 -0.02 10.11 1.01 -0.21 -0.49 120.40 133.61 1lj0 s VAL 24 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1lj0 s VAL 24 Cb -0.03 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1lj0 s VAL 24 CO 0.06 0.58 0.01 -0.76 0.00 0.00 0.00 175.10 174.99 1lj0 s LEU 25 N -0.60 1.26 -1.52 3.92 1.43 -0.54 -0.76 118.68 121.87 1lj0 s LEU 25 Ca 0.10 -0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1lj0 s LEU 25 Cb -0.12 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 45.94 1lj0 s LEU 25 CO 0.02 -0.09 0.10 1.41 0.23 0.00 0.00 176.35 178.02 1lj0 n HIS 26 N 3.99 -1.34 -1.03 0.29 8.25 -1.26 -1.15 115.22 122.98 1lj0 n HIS 26 Ca -0.25 0.63 -0.01 0.00 -0.26 0.00 0.00 57.72 57.83 1lj0 n HIS 26 Cb 0.51 -3.00 -0.00 0.00 1.12 0.00 0.00 29.99 28.62 1lj0 n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lj0 n GLY 27 N -2.46 0.39 3.35 -1.41 0.00 -1.26 -5.01 105.19 98.79 1lj0 n GLY 27 Ca -0.32 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1lj0 n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lj0 s ARG 28 N -0.96 1.43 -0.18 1.61 0.52 -0.30 -1.54 118.95 119.53 1lj0 s ARG 28 Ca 0.00 -1.23 -0.09 0.00 -0.52 0.00 0.00 55.73 53.89 1lj0 s ARG 28 Cb 0.00 -1.79 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 1lj0 s ARG 28 CO 0.00 0.43 0.12 0.08 0.02 0.00 0.00 175.30 175.96 1lj0 s VAL 29 N -1.01 5.35 -0.06 3.52 1.01 0.12 -1.47 120.40 127.86 1lj0 s VAL 29 Ca 0.12 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1lj0 s VAL 29 Cb -0.10 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1lj0 s VAL 29 CO 0.05 0.49 -0.20 -0.31 0.00 0.00 0.00 175.10 175.12 1lj0 s TYR 30 N -0.02 2.06 -0.57 5.22 1.51 0.36 -0.62 117.35 125.29 1lj0 s TYR 30 Ca 0.09 -0.66 -0.18 0.00 -1.01 0.00 0.00 57.07 55.30 1lj0 s TYR 30 Cb -0.11 -1.38 0.10 0.00 -0.11 0.00 0.00 41.96 40.45 1lj0 s TYR 30 CO -0.00 -0.24 0.66 0.34 -1.11 0.00 0.00 175.55 175.20 1lj0 s ASP 31 N 0.09 6.19 -0.11 2.29 -1.08 -0.19 -1.06 116.67 122.80 1lj0 s ASP 31 Ca -0.07 -1.37 0.16 0.00 -0.52 0.00 0.00 52.55 50.74 1lj0 s ASP 31 Cb -0.14 -2.29 0.65 0.00 -1.46 0.00 0.00 42.92 39.68 1lj0 s ASP 31 CO 0.04 -1.03 1.53 0.18 0.52 0.00 0.00 175.17 176.41 1lj0 n LEU 32 N 6.15 4.33 -0.21 -1.34 4.77 0.40 -4.60 117.00 126.49 1lj0 n LEU 32 Ca -0.10 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 1lj0 n LEU 32 Cb 0.43 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1lj0 n LEU 32 CO 0.57 0.71 0.76 0.74 -1.33 0.00 0.00 177.39 178.84 1lj0 h THR 33 N 3.62 0.39 0.00 -5.08 2.02 -1.87 -0.57 112.91 111.41 1lj0 h THR 33 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1lj0 h THR 33 Cb 1.35 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1lj0 h THR 33 CO 0.22 0.01 -0.34 0.54 0.37 0.00 0.00 175.52 176.32 1lj0 n ARG 34 N -5.40 0.17 0.07 6.66 1.74 -1.26 -3.87 116.66 114.78 1lj0 n ARG 34 Ca 0.08 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1lj0 n ARG 34 Cb 0.34 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 1lj0 n ARG 34 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1lj0 h PHE 35 N 0.00 0.00 -0.62 -1.55 3.57 -1.44 -3.37 116.94 113.53 1lj0 h PHE 35 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1lj0 h PHE 35 Cb 0.65 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.27 1lj0 h PHE 35 CO 0.00 0.59 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.45 1lj0 h LEU 36 N 0.00 -0.57 -0.89 0.59 3.38 -1.51 0.90 115.31 117.21 1lj0 h LEU 36 Ca -0.09 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1lj0 h LEU 36 Cb 1.54 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 42.57 1lj0 h LEU 36 CO 0.06 -0.20 0.49 0.28 0.09 0.00 0.00 178.44 179.15 1lj0 h SER 37 N 0.00 0.62 1.17 -0.43 0.02 -1.83 -2.91 113.55 110.19 1lj0 h SER 37 Ca 0.30 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1lj0 h SER 37 Cb 0.46 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1lj0 h SER 37 CO -0.64 0.27 -0.72 -0.33 -1.14 0.00 0.00 176.83 174.28 1lj0 h GLU 38 N 0.70 0.00 -6.18 3.45 4.39 -1.19 -3.48 114.58 112.26 1lj0 h GLU 38 Ca 0.48 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 59.46 1lj0 h GLU 38 Cb 0.65 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1lj0 h GLU 38 CO -0.35 0.00 0.82 1.58 -1.16 0.00 0.00 179.01 179.91 1lj0 n HIS 39 N -2.64 1.97 0.26 4.33 -0.00 0.10 -4.85 115.22 114.39 1lj0 n HIS 39 Ca 0.02 0.52 0.09 0.00 0.46 0.00 0.00 57.72 58.80 1lj0 n HIS 39 Cb 0.52 -2.45 0.65 0.00 -0.12 0.00 0.00 29.99 28.60 1lj0 n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1lj0 h PRO 40 N 6.80 0.00 -0.08 1.57 0.11 -1.92 -1.27 132.00 137.21 1lj0 h PRO 40 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1lj0 h PRO 40 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1lj0 h PRO 40 CO 0.92 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 1lj0 n GLY 41 N -1.40 -0.58 0.00 -0.55 0.00 -1.26 -5.02 105.19 96.38 1lj0 n GLY 41 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1lj0 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj0 n GLY 42 N 0.75 0.15 0.13 -0.02 0.00 -0.48 -4.69 105.19 101.04 1lj0 n GLY 42 Ca 0.08 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1lj0 n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lj0 h GLU 43 N 0.00 0.30 -0.64 1.61 5.08 -1.83 -3.40 114.58 115.70 1lj0 h GLU 43 Ca 0.00 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1lj0 h GLU 43 Cb 0.00 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1lj0 h GLU 43 CO 0.00 1.20 0.30 1.05 -1.00 0.00 0.00 179.01 180.55 1lj0 h GLU 44 N 0.08 0.92 -0.23 2.33 4.11 -1.94 0.26 114.58 120.12 1lj0 h GLU 44 Ca -0.36 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 58.97 1lj0 h GLU 44 Cb 2.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1lj0 h GLU 44 CO 0.13 0.72 0.15 -0.39 0.07 0.00 0.00 179.01 179.70 1lj0 h VAL 45 N 0.91 1.01 0.18 -1.06 -1.51 -1.84 0.29 116.25 114.24 1lj0 h VAL 45 Ca 0.22 -0.08 -0.29 0.00 -1.23 0.00 0.00 66.70 65.32 1lj0 h VAL 45 Cb 0.11 0.77 0.02 0.00 -2.13 0.00 0.00 31.29 30.06 1lj0 h VAL 45 CO -0.03 0.04 -1.39 -0.07 -1.23 0.00 0.00 177.57 174.89 1lj0 h LEU 46 N 0.22 0.60 -0.58 4.19 3.38 -1.55 -3.25 115.31 118.33 1lj0 h LEU 46 Ca 0.09 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.24 1lj0 h LEU 46 Cb 0.10 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 1lj0 h LEU 46 CO -0.02 1.64 0.18 -0.09 0.09 0.00 0.00 178.44 180.24 1lj0 h ARG 47 N -0.08 0.33 0.00 1.13 9.65 0.28 -0.40 114.38 125.29 1lj0 h ARG 47 Ca -0.27 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 1lj0 h ARG 47 Cb 1.95 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 30.45 1lj0 h ARG 47 CO 0.18 0.22 -0.03 1.49 2.80 0.00 0.00 179.97 184.62 1lj0 h GLU 48 N 0.34 0.00 -0.02 0.20 4.81 -1.05 -2.12 114.58 116.74 1lj0 h GLU 48 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1lj0 h GLU 48 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1lj0 h GLU 48 CO -0.33 0.03 -0.03 1.04 -0.73 0.00 0.00 179.01 179.00 1lj0 n GLN 49 N -4.43 1.82 -1.64 1.92 1.13 -0.24 -4.96 117.38 110.98 1lj0 n GLN 49 Ca -0.03 -1.25 -0.45 0.00 -1.94 0.00 0.00 57.00 53.33 1lj0 n GLN 49 Cb 0.12 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.97 1lj0 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lj0 n ALA 50 N 0.50 0.52 -0.93 -1.58 0.00 -0.73 -1.01 120.51 117.28 1lj0 n ALA 50 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1lj0 n ALA 50 Cb 0.44 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1lj0 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lj0 n GLY 51 N 1.70 0.49 3.60 0.00 0.00 0.13 -4.76 105.19 106.35 1lj0 n GLY 51 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1lj0 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj0 s ALA 52 N -2.28 3.11 -0.42 4.61 0.00 -0.18 -3.29 121.76 123.32 1lj0 s ALA 52 Ca 0.00 -1.96 -0.21 0.00 0.00 0.00 0.00 51.96 49.79 1lj0 s ALA 52 Cb 0.00 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.42 1lj0 s ALA 52 CO 0.00 -0.16 0.67 0.34 0.00 0.00 0.00 175.76 176.61 1lj0 s ASP 53 N -3.68 6.37 -0.13 0.00 -1.08 -1.26 -1.04 116.67 115.85 1lj0 s ASP 53 Ca 0.31 -0.16 0.17 0.00 -0.52 0.00 0.00 52.55 52.35 1lj0 s ASP 53 Cb 0.08 -2.33 0.66 0.00 -1.46 0.00 0.00 42.92 39.87 1lj0 s ASP 53 CO 0.15 -0.75 1.57 0.00 0.52 0.00 0.00 175.17 176.67 1lj0 n ALA 54 N 6.28 3.06 -0.11 3.66 0.00 0.06 -4.67 120.51 128.79 1lj0 n ALA 54 Ca -0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 53.44 51.68 1lj0 n ALA 54 Cb 0.48 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 19.04 1lj0 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1lj0 h THR 55 N 3.47 0.64 -0.38 0.00 2.02 -1.91 0.21 112.91 116.96 1lj0 h THR 55 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1lj0 h THR 55 Cb 1.44 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1lj0 h THR 55 CO 0.24 0.01 0.18 -0.33 0.37 0.00 0.00 175.52 175.98 1lj0 h GLU 56 N 0.03 0.55 -0.46 6.66 4.39 -1.94 -0.49 114.58 123.33 1lj0 h GLU 56 Ca 0.19 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1lj0 h GLU 56 Cb 0.28 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1lj0 h GLU 56 CO -0.37 0.50 0.14 0.77 -1.16 0.00 0.00 179.01 178.89 1lj0 h SER 57 N 0.48 0.68 -0.75 1.42 0.02 -1.83 0.66 113.55 114.23 1lj0 h SER 57 Ca 0.13 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1lj0 h SER 57 Cb 0.14 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1lj0 h SER 57 CO -0.01 0.71 0.49 0.15 -1.14 0.00 0.00 176.83 177.02 1lj0 h PHE 58 N 0.61 0.92 -0.01 3.45 3.57 -0.84 -2.40 116.94 122.25 1lj0 h PHE 58 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1lj0 h PHE 58 Cb 0.28 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1lj0 h PHE 58 CO 0.01 0.56 -0.70 0.93 -2.23 0.00 0.00 178.31 176.89 1lj0 h GLU 59 N 0.98 0.09 -0.39 1.11 4.39 -0.85 -3.28 114.58 116.63 1lj0 h GLU 59 Ca 0.28 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 1lj0 h GLU 59 Cb -0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1lj0 h GLU 59 CO -0.08 0.75 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.92 1lj0 h ASP 60 N 0.06 0.72 -0.36 1.42 3.32 -0.43 -2.93 116.42 118.23 1lj0 h ASP 60 Ca -0.01 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1lj0 h ASP 60 Cb 1.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1lj0 h ASP 60 CO 0.10 0.90 0.24 0.58 -1.72 0.00 0.00 179.24 179.33 1lj0 h VAL 61 N 0.65 1.08 -2.65 -1.35 2.07 -1.50 -3.47 116.25 111.08 1lj0 h VAL 61 Ca 0.10 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1lj0 h VAL 61 Cb 0.64 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1lj0 h VAL 61 CO 0.05 0.09 -0.00 0.61 0.02 0.00 0.00 177.57 178.33 1lj0 n GLY 62 N -1.49 0.75 3.77 2.17 0.00 -1.11 -5.04 105.19 104.25 1lj0 n GLY 62 Ca 0.02 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1lj0 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lj0 s HIS 63 N -3.00 2.91 0.76 1.61 3.76 -1.26 -5.04 115.29 115.03 1lj0 s HIS 63 Ca 0.00 1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 56.33 1lj0 s HIS 63 Cb -0.00 -3.39 0.05 0.00 1.11 0.00 0.00 32.58 30.35 1lj0 s HIS 63 CO 0.00 -1.49 1.12 -1.54 -0.85 0.00 0.00 174.74 171.98 1lj0 s SER 64 N -1.30 4.92 0.50 1.40 1.04 -1.26 -4.84 113.70 114.17 1lj0 s SER 64 Ca 0.62 1.09 0.19 0.00 0.48 0.00 0.00 55.95 58.34 1lj0 s SER 64 Cb -0.29 -1.80 1.26 0.00 0.10 0.00 0.00 66.02 65.29 1lj0 s SER 64 CO 0.36 -1.68 2.04 -0.65 0.98 0.00 0.00 173.24 174.30 1lj0 h PRO 65 N -0.89 0.10 -0.20 4.02 0.11 -1.99 -0.21 132.00 132.94 1lj0 h PRO 65 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1lj0 h PRO 65 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1lj0 h PRO 65 CO 0.63 0.07 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.99 1lj0 h ASP 66 N 0.10 0.40 -0.64 -2.05 3.32 -1.99 -0.55 116.42 115.01 1lj0 h ASP 66 Ca 0.18 -0.37 0.05 0.00 0.02 0.00 0.00 57.03 56.91 1lj0 h ASP 66 Cb 0.56 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1lj0 h ASP 66 CO -0.02 0.68 0.36 0.00 -1.72 0.00 0.00 179.24 178.54 1lj0 h ALA 67 N 0.73 0.85 -0.70 3.45 0.00 -1.51 0.67 119.26 122.75 1lj0 h ALA 67 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1lj0 h ALA 67 Cb 0.51 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1lj0 h ALA 67 CO 0.02 0.05 0.42 0.00 0.00 0.00 0.00 179.25 179.74 1lj0 h ARG 68 N 0.68 0.95 -0.36 0.00 3.08 -0.80 -2.70 114.38 115.24 1lj0 h ARG 68 Ca 0.28 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1lj0 h ARG 68 Cb 0.15 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1lj0 h ARG 68 CO -0.17 0.68 0.15 1.49 -1.07 0.00 0.00 179.97 181.06 1lj0 h GLU 69 N 0.96 0.53 -0.88 0.04 4.57 -0.45 -3.03 114.58 116.32 1lj0 h GLU 69 Ca 0.25 -0.09 0.16 0.00 -1.18 0.00 0.00 59.36 58.50 1lj0 h GLU 69 Cb -0.03 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.41 1lj0 h GLU 69 CO -0.05 0.50 0.57 1.98 -1.18 0.00 0.00 179.01 180.84 1lj0 h MET 70 N 0.43 0.59 0.00 1.92 4.05 -0.61 -1.54 114.93 119.77 1lj0 h MET 70 Ca 0.12 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1lj0 h MET 70 Cb 0.16 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1lj0 h MET 70 CO -0.01 0.39 -0.17 0.66 0.23 0.00 0.00 176.91 178.01 1lj0 h SER 71 N 0.61 0.00 -0.90 1.39 4.64 -1.35 -3.10 113.55 114.83 1lj0 h SER 71 Ca 0.45 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.92 1lj0 h SER 71 Cb 0.82 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.84 1lj0 h SER 71 CO -0.20 0.17 0.58 0.11 -0.87 0.00 0.00 176.83 176.62 1lj0 h LYS 72 N 0.00 0.64 0.00 4.77 1.57 -1.38 0.21 116.57 122.38 1lj0 h LYS 72 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lj0 h LYS 72 Cb 0.39 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1lj0 h LYS 72 CO 0.02 0.42 0.00 -0.56 -0.57 0.00 0.00 179.45 178.76 1lj0 h GLN 73 N 0.66 0.00 -0.04 3.15 3.07 -1.72 -2.06 115.11 118.17 1lj0 h GLN 73 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 1lj0 h GLN 73 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1lj0 h GLN 73 CO -0.22 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.36 1lj0 n TYR 74 N -2.33 0.01 -1.80 0.06 4.01 0.06 -4.97 117.16 112.20 1lj0 n TYR 74 Ca 0.01 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1lj0 n TYR 74 Cb 0.17 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1lj0 n TYR 74 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1lj0 s TYR 75 N -1.83 2.80 0.00 -0.72 5.04 -0.78 -1.02 117.35 120.84 1lj0 s TYR 75 Ca 0.26 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.26 1lj0 s TYR 75 Cb 0.18 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1lj0 s TYR 75 CO 0.28 -4.10 0.03 0.44 -1.34 0.00 0.00 175.55 170.86 1lj0 n ILE 76 N 4.15 0.00 0.00 3.14 -5.35 0.21 -4.89 119.36 116.62 1lj0 n ILE 76 Ca 0.16 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1lj0 n ILE 76 Cb 0.37 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1lj0 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lj0 n GLY 77 N 0.82 -0.42 3.83 3.28 0.00 -1.18 -4.83 105.19 106.69 1lj0 n GLY 77 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1lj0 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lj0 s ASP 78 N 0.00 5.82 0.28 1.61 1.11 -0.05 0.15 116.67 125.58 1lj0 s ASP 78 Ca 0.00 0.06 -0.29 0.00 0.18 0.00 0.00 52.55 52.50 1lj0 s ASP 78 Cb 0.00 -1.64 -0.10 0.00 1.07 0.00 0.00 42.92 42.25 1lj0 s ASP 78 CO 0.00 0.14 1.27 -0.69 1.18 0.00 0.00 175.17 177.07 1lj0 s VAL 79 N -1.51 3.02 0.28 -1.27 1.01 -0.59 -1.19 120.40 120.16 1lj0 s VAL 79 Ca 0.31 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 1lj0 s VAL 79 Cb -0.12 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1lj0 s VAL 79 CO 0.24 0.20 1.59 1.57 0.00 0.00 0.00 175.10 178.71 1lj0 n HIS 80 N 1.46 2.79 0.07 5.22 -0.00 -0.20 -4.77 115.22 119.80 1lj0 n HIS 80 Ca 0.02 0.25 0.21 0.00 0.46 0.00 0.00 57.72 58.65 1lj0 n HIS 80 Cb 0.43 -2.59 0.74 0.00 -0.12 0.00 0.00 29.99 28.45 1lj0 n HIS 80 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1lj0 h PRO 81 N 4.92 0.00 0.00 1.57 0.11 -1.92 0.39 132.00 137.08 1lj0 h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1lj0 h PRO 81 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1lj0 h PRO 81 CO 0.81 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.69 1lj0 h ASN 82 N 0.00 0.00 -0.50 -2.05 -0.26 -1.99 -2.96 115.58 107.81 1lj0 h ASN 82 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1lj0 h ASN 82 Cb 1.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1lj0 h ASN 82 CO -0.00 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.84 1lj0 n ASP 83 N -2.87 3.64 -4.78 5.81 8.00 0.14 -4.97 116.55 121.52 1lj0 n ASP 83 Ca -0.00 -2.17 -0.37 0.00 0.71 0.00 0.00 54.79 52.96 1lj0 n ASP 83 Cb 0.22 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1lj0 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lj0 s LEU 84 N -1.32 4.32 0.62 0.64 1.43 -1.12 -4.96 118.68 118.29 1lj0 s LEU 84 Ca 0.37 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.92 1lj0 s LEU 84 Cb 0.22 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1lj0 s LEU 84 CO 0.22 0.22 1.03 -0.54 0.23 0.00 0.00 176.35 177.51 1lj0 s LYS 85 N -0.17 3.46 0.86 1.70 1.02 -1.26 -5.02 119.74 120.32 1lj0 s LYS 85 Ca 0.17 0.85 -0.12 0.00 0.02 0.00 0.00 55.97 56.90 1lj0 s LYS 85 Cb -0.13 -2.06 0.10 0.00 -0.52 0.00 0.00 37.83 35.22 1lj0 s LYS 85 CO 0.05 -0.68 1.10 -1.25 -0.92 0.00 0.00 175.35 173.65 1lj0 s PRO 86 N -4.94 1.60 0.00 -1.68 0.04 -1.26 -5.20 135.00 123.55 1lj0 s PRO 86 Ca 0.57 0.62 0.07 0.00 0.04 0.00 0.00 61.00 62.29 1lj0 s PRO 86 Cb -0.12 -1.86 0.40 0.00 0.04 0.00 0.00 34.50 32.96 1lj0 s PRO 86 CO 0.50 -1.95 0.86 1.63 0.04 0.00 0.00 177.00 178.08