#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj0 n SER 0 N 0.00 0.00 -4.19 1.61 3.41 -1.26 -5.12 113.62 108.07 1lj0 n SER 0 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1lj0 n SER 0 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1lj0 n SER 0 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lj0 s ASP 1 N 0.94 4.44 0.00 4.04 -1.08 -1.26 -5.01 116.67 118.74 1lj0 s ASP 1 Ca 0.00 -0.95 0.07 0.00 -0.52 0.00 0.00 52.55 51.14 1lj0 s ASP 1 Cb 0.00 -1.67 0.29 0.00 -1.46 0.00 0.00 42.92 40.07 1lj0 s ASP 1 CO 0.00 -0.15 1.21 -0.81 0.52 0.00 0.00 175.17 175.94 1lj0 n PRO 2 N 4.66 0.00 0.04 4.34 -0.04 -1.26 -1.45 135.00 141.28 1lj0 n PRO 2 Ca -0.16 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 1lj0 n PRO 2 Cb 0.46 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.86 1lj0 n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lj0 n ALA 3 N -1.50 2.59 -3.25 0.55 0.00 -1.26 -4.78 120.51 112.87 1lj0 n ALA 3 Ca 0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1lj0 n ALA 3 Cb 0.08 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 1lj0 n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lj0 s VAL 4 N -3.05 3.25 0.05 0.00 1.01 -0.53 -5.10 120.40 116.02 1lj0 s VAL 4 Ca 0.12 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 1lj0 s VAL 4 Cb 0.16 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1lj0 s VAL 4 CO 0.60 0.49 0.62 -0.89 0.00 0.00 0.00 175.10 175.92 1lj0 s THR 5 N 0.77 4.76 0.11 3.92 2.01 -1.26 -4.82 115.64 121.13 1lj0 s THR 5 Ca -0.04 1.32 0.06 0.00 0.31 0.00 0.00 61.69 63.35 1lj0 s THR 5 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1lj0 s THR 5 CO 0.01 0.48 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 1lj0 s TYR 6 N -0.65 2.85 -0.02 4.92 1.51 -1.26 -1.36 117.35 123.34 1lj0 s TYR 6 Ca 0.31 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1lj0 s TYR 6 Cb -0.19 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1lj0 s TYR 6 CO 0.19 0.47 -0.10 0.71 -1.11 0.00 0.00 175.55 175.72 1lj0 s TYR 7 N -1.36 0.95 0.19 2.71 2.02 0.30 -4.87 117.35 117.30 1lj0 s TYR 7 Ca 0.24 -0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.55 1lj0 s TYR 7 Cb -0.11 -0.65 -0.08 0.00 -0.40 0.00 0.00 41.96 40.72 1lj0 s TYR 7 CO 0.16 -0.07 0.66 1.03 -1.57 0.00 0.00 175.55 175.77 1lj0 s ARG 8 N 0.03 4.16 0.57 -0.62 0.52 -1.26 0.26 118.95 122.62 1lj0 s ARG 8 Ca -0.01 0.74 0.26 0.00 -0.52 0.00 0.00 55.73 56.21 1lj0 s ARG 8 Cb -0.07 -2.91 1.64 0.00 0.52 0.00 0.00 34.95 34.13 1lj0 s ARG 8 CO 0.00 0.43 2.18 -0.07 0.02 0.00 0.00 175.30 177.86 1lj0 h LEU 9 N 3.50 0.00 -0.96 2.53 3.38 -1.94 0.21 115.31 122.03 1lj0 h LEU 9 Ca -0.48 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.54 1lj0 h LEU 9 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1lj0 h LEU 9 CO 0.65 0.00 0.62 -0.08 0.09 0.00 0.00 178.44 179.72 1lj0 h GLU 10 N 0.00 1.13 0.11 1.13 4.81 -1.96 0.81 114.58 120.62 1lj0 h GLU 10 Ca 0.03 -0.07 -0.28 0.00 -0.13 0.00 0.00 59.36 58.91 1lj0 h GLU 10 Cb 0.16 -0.26 0.02 0.00 0.63 0.00 0.00 28.75 29.31 1lj0 h GLU 10 CO -0.00 0.75 -1.20 0.93 -0.73 0.00 0.00 179.01 178.76 1lj0 h GLU 11 N 1.17 0.46 -0.92 1.92 4.39 -0.99 -3.29 114.58 117.32 1lj0 h GLU 11 Ca 0.39 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1lj0 h GLU 11 Cb 0.07 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1lj0 h GLU 11 CO -0.14 1.28 0.53 0.28 -1.16 0.00 0.00 179.01 179.79 1lj0 h VAL 12 N 0.19 1.26 -0.07 3.13 2.07 -0.91 -2.55 116.25 119.37 1lj0 h VAL 12 Ca -0.16 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1lj0 h VAL 12 Cb 1.88 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1lj0 h VAL 12 CO 0.22 0.28 0.11 0.00 0.02 0.00 0.00 177.57 178.20 1lj0 h ALA 13 N 1.29 1.47 0.00 1.67 0.00 -0.58 -1.81 119.26 121.30 1lj0 h ALA 13 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1lj0 h ALA 13 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1lj0 h ALA 13 CO -0.06 -0.14 0.00 0.87 0.00 0.00 0.00 179.25 179.92 1lj0 h LYS 14 N 0.00 0.00 -3.66 0.00 1.57 -1.56 -3.36 116.57 109.56 1lj0 h LYS 14 Ca 0.03 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.05 1lj0 h LYS 14 Cb 0.25 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.38 1lj0 h LYS 14 CO -0.00 0.00 1.61 0.54 -0.57 0.00 0.00 179.45 181.03 1lj0 n ARG 15 N -2.80 3.71 -0.55 3.15 3.00 -0.68 -4.65 116.66 117.84 1lj0 n ARG 15 Ca 0.04 -3.81 0.06 0.00 -0.01 0.00 0.00 57.85 54.14 1lj0 n ARG 15 Cb 0.44 -2.86 0.14 0.00 0.00 0.00 0.00 32.46 30.18 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 3.74 1.64 -4.42 0.55 6.94 -1.19 -1.89 115.26 120.63 1lj0 n ASN 16 Ca 0.36 -3.19 -0.22 0.00 -0.02 0.00 0.00 54.58 51.51 1lj0 n ASN 16 Cb 0.37 -0.43 -0.10 0.00 -2.36 0.00 0.00 39.78 37.26 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 -2.35 1.11 0.40 5.53 -4.23 -1.19 -4.91 115.64 110.00 1lj0 s THR 17 Ca 0.32 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.21 1lj0 s THR 17 Cb 0.31 -2.73 0.41 0.00 1.34 0.00 0.00 72.50 71.83 1lj0 s THR 17 CO -0.05 0.00 2.18 0.77 -0.54 0.00 0.00 174.62 176.98 1lj0 h SER 18 N 2.07 0.00 0.14 3.99 4.64 -1.99 -2.24 113.55 120.16 1lj0 h SER 18 Ca -0.40 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1lj0 h SER 18 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1lj0 h SER 18 CO 0.68 0.01 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.97 1lj0 h GLU 19 N 0.00 0.32 -0.98 4.77 4.39 -1.96 -3.43 114.58 117.69 1lj0 h GLU 19 Ca -0.00 -0.14 0.12 0.00 0.34 0.00 0.00 59.36 59.68 1lj0 h GLU 19 Cb 0.26 -0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 28.69 1lj0 h GLU 19 CO 0.00 0.64 -0.17 -2.00 -1.16 0.00 0.00 179.01 176.32 1lj0 s GLU 20 N -4.26 0.50 -0.14 2.33 2.12 -0.85 -5.01 118.70 113.39 1lj0 s GLU 20 Ca -0.05 0.93 0.02 0.00 0.36 0.00 0.00 54.97 56.22 1lj0 s GLU 20 Cb 0.13 0.52 0.02 0.00 0.26 0.00 0.00 34.13 35.06 1lj0 s GLU 20 CO 0.78 -0.49 -0.18 0.99 -0.54 0.00 0.00 175.26 175.81 1lj0 s THR 21 N 2.87 1.80 0.27 -1.70 2.01 -1.15 -3.15 115.64 116.59 1lj0 s THR 21 Ca 0.14 -0.81 0.11 0.00 0.31 0.00 0.00 61.69 61.44 1lj0 s THR 21 Cb -0.14 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1lj0 s THR 21 CO -0.19 0.50 -0.13 0.26 -0.69 0.00 0.00 174.62 174.37 1lj0 s TRP 22 N 1.06 2.44 -0.02 4.92 0.52 -0.80 -0.89 118.94 126.18 1lj0 s TRP 22 Ca -0.03 -0.29 -0.18 0.00 0.02 0.00 0.00 56.10 55.62 1lj0 s TRP 22 Cb -0.14 -1.08 0.03 0.00 -1.15 0.00 0.00 33.47 31.13 1lj0 s TRP 22 CO -0.05 0.67 0.39 1.41 0.02 0.00 0.00 176.95 179.38 1lj0 s MET 23 N -3.49 0.74 -0.13 4.98 1.75 -0.48 0.11 119.30 122.78 1lj0 s MET 23 Ca 0.30 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.60 1lj0 s MET 23 Cb -0.06 0.34 -0.04 0.00 2.84 0.00 0.00 34.83 37.91 1lj0 s MET 23 CO 0.16 -0.21 0.05 0.08 -0.65 0.00 0.00 175.02 174.45 1lj0 s VAL 24 N -1.27 4.70 -0.07 10.11 1.01 0.05 -1.25 120.40 133.68 1lj0 s VAL 24 Ca -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1lj0 s VAL 24 Cb -0.04 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1lj0 s VAL 24 CO 0.05 0.55 -0.00 -0.76 0.00 0.00 0.00 175.10 174.94 1lj0 s LEU 25 N -0.36 0.66 -1.41 3.92 1.43 0.01 -0.64 118.68 122.29 1lj0 s LEU 25 Ca 0.09 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1lj0 s LEU 25 Cb -0.12 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1lj0 s LEU 25 CO 0.02 -0.18 0.35 1.41 0.23 0.00 0.00 176.35 178.18 1lj0 n HIS 26 N 5.03 -1.55 -1.00 0.29 8.25 -1.26 -1.40 115.22 123.57 1lj0 n HIS 26 Ca -0.09 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1lj0 n HIS 26 Cb 0.50 -3.42 0.00 0.00 1.12 0.00 0.00 29.99 28.19 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 -2.12 0.31 3.34 -1.41 0.00 -1.26 -5.00 105.19 99.05 1lj0 n GLY 27 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.75 1.27 -0.14 1.61 0.52 -0.50 -1.78 118.95 119.18 1lj0 s ARG 28 Ca 0.00 -1.26 -0.08 0.00 -0.52 0.00 0.00 55.73 53.87 1lj0 s ARG 28 Cb 0.00 -1.66 -0.04 0.00 0.52 0.00 0.00 34.95 33.77 1lj0 s ARG 28 CO 0.00 0.39 0.13 0.08 0.02 0.00 0.00 175.30 175.91 1lj0 s VAL 29 N -1.11 5.38 -0.05 3.52 1.01 0.26 -0.81 120.40 128.60 1lj0 s VAL 29 Ca 0.10 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1lj0 s VAL 29 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1lj0 s VAL 29 CO 0.05 0.56 -0.15 -0.31 0.00 0.00 0.00 175.10 175.25 1lj0 s TYR 30 N -0.57 1.61 -0.58 5.22 1.51 -0.38 -0.86 117.35 123.29 1lj0 s TYR 30 Ca 0.12 -0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 1lj0 s TYR 30 Cb -0.12 -1.11 0.11 0.00 -0.11 0.00 0.00 41.96 40.73 1lj0 s TYR 30 CO 0.02 -0.20 0.64 0.34 -1.11 0.00 0.00 175.55 175.24 1lj0 s ASP 31 N 0.22 6.18 0.00 2.29 -1.08 0.41 -1.39 116.67 123.32 1lj0 s ASP 31 Ca -0.07 -1.54 0.15 0.00 -0.52 0.00 0.00 52.55 50.57 1lj0 s ASP 31 Cb -0.13 -2.27 0.45 0.00 -1.46 0.00 0.00 42.92 39.51 1lj0 s ASP 31 CO 0.03 -1.04 1.37 0.18 0.52 0.00 0.00 175.17 176.23 1lj0 n LEU 32 N 6.01 2.30 -0.26 -1.34 4.77 -0.07 -4.58 117.00 123.83 1lj0 n LEU 32 Ca -0.11 -1.11 0.07 0.00 -0.03 0.00 0.00 56.01 54.83 1lj0 n LEU 32 Cb 0.42 -0.26 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 1lj0 n LEU 32 CO 0.57 0.56 0.95 0.74 -1.33 0.00 0.00 177.39 178.88 1lj0 h THR 33 N 2.62 0.51 0.00 -5.08 2.02 -1.86 0.66 112.91 111.78 1lj0 h THR 33 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1lj0 h THR 33 Cb 0.59 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1lj0 h THR 33 CO 0.00 0.05 -0.33 0.03 0.37 0.00 0.00 175.52 175.65 1lj0 h ARG 34 N 0.30 0.00 0.00 6.66 3.08 -1.92 -3.32 114.38 119.17 1lj0 h ARG 34 Ca 0.44 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.44 1lj0 h ARG 34 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1lj0 h ARG 34 CO -0.51 0.00 -0.23 0.35 -1.07 0.00 0.00 179.97 178.51 1lj0 h PHE 35 N 0.00 0.00 -0.44 3.04 3.57 0.00 -3.38 116.94 119.73 1lj0 h PHE 35 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1lj0 h PHE 35 Cb 0.79 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.43 1lj0 h PHE 35 CO 0.00 0.23 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.89 1lj0 h LEU 36 N 0.00 -1.17 -1.40 0.59 3.38 -1.43 -1.54 115.31 113.74 1lj0 h LEU 36 Ca -0.00 0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.33 1lj0 h LEU 36 Cb 1.16 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 42.39 1lj0 h LEU 36 CO 0.03 -0.33 0.56 0.28 0.09 0.00 0.00 178.44 179.07 1lj0 h SER 37 N -0.25 0.54 -0.22 -0.43 0.02 -1.85 -2.72 113.55 108.64 1lj0 h SER 37 Ca 0.18 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1lj0 h SER 37 Cb 0.55 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1lj0 h SER 37 CO -0.58 0.26 0.00 -0.62 -1.14 0.00 0.00 176.83 174.76 1lj0 n GLU 38 N -4.53 1.95 -2.58 3.45 -0.58 -0.60 -4.90 120.64 112.85 1lj0 n GLU 38 Ca 0.17 -1.43 -0.43 0.00 -0.42 0.00 0.00 57.16 55.05 1lj0 n GLU 38 Cb 0.53 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 29.95 1lj0 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1lj0 s HIS 39 N -1.73 2.96 0.54 -0.32 2.46 -1.02 -4.92 115.29 113.26 1lj0 s HIS 39 Ca 0.34 1.01 0.28 0.00 0.47 0.00 0.00 55.06 57.16 1lj0 s HIS 39 Cb 0.19 -3.91 1.44 0.00 -0.13 0.00 0.00 32.58 30.17 1lj0 s HIS 39 CO 0.28 -1.11 1.96 -1.35 -2.47 0.00 0.00 174.74 172.04 1lj0 h PRO 40 N 8.64 0.00 -0.16 2.88 0.11 -1.90 0.21 132.00 141.78 1lj0 h PRO 40 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1lj0 h PRO 40 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1lj0 h PRO 40 CO 1.05 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 1lj0 n GLY 41 N -1.66 -0.06 0.00 -0.55 0.00 -1.26 -5.03 105.19 96.64 1lj0 n GLY 41 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.96 -0.16 0.14 -0.02 0.00 0.74 -4.61 105.19 102.23 1lj0 n GLY 42 Ca 0.12 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 0.34 -0.26 1.61 5.08 -1.81 -3.38 114.58 116.15 1lj0 h GLU 43 Ca 0.00 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1lj0 h GLU 43 Cb 0.00 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1lj0 h GLU 43 CO 0.00 1.08 0.09 1.49 -1.00 0.00 0.00 179.01 180.68 1lj0 h GLU 44 N 0.18 0.21 -0.11 2.33 4.57 -1.96 0.68 114.58 120.48 1lj0 h GLU 44 Ca -0.08 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1lj0 h GLU 44 Cb 1.62 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.16 1lj0 h GLU 44 CO 0.16 0.14 0.10 -0.39 -1.18 0.00 0.00 179.01 177.84 1lj0 h VAL 45 N 0.22 0.70 0.14 0.32 -1.51 -1.82 0.11 116.25 114.41 1lj0 h VAL 45 Ca 0.11 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.37 1lj0 h VAL 45 Cb 0.08 0.93 0.02 0.00 -2.13 0.00 0.00 31.29 30.18 1lj0 h VAL 45 CO -0.11 0.00 -1.00 -0.07 -1.23 0.00 0.00 177.57 175.16 1lj0 h LEU 46 N 0.00 0.47 -0.81 4.19 3.38 -1.49 -3.28 115.31 117.77 1lj0 h LEU 46 Ca 0.05 -0.93 0.13 0.00 0.09 0.00 0.00 57.88 57.23 1lj0 h LEU 46 Cb 0.25 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1lj0 h LEU 46 CO -0.00 1.47 0.41 0.03 0.09 0.00 0.00 178.44 180.43 1lj0 h ARG 47 N -0.33 0.59 -0.75 1.13 3.08 -0.01 -0.12 114.38 117.97 1lj0 h ARG 47 Ca -0.19 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.91 1lj0 h ARG 47 Cb 1.70 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.57 1lj0 h ARG 47 CO 0.14 0.39 0.49 0.93 -1.07 0.00 0.00 179.97 180.85 1lj0 h GLU 48 N 0.61 0.71 -0.19 0.04 5.08 -0.88 -2.36 114.58 117.59 1lj0 h GLU 48 Ca 0.43 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1lj0 h GLU 48 Cb 0.58 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1lj0 h GLU 48 CO -0.34 0.47 -0.03 1.04 -1.00 0.00 0.00 179.01 179.15 1lj0 n GLN 49 N -4.49 2.24 -1.82 2.33 6.02 -0.72 -5.03 117.38 115.91 1lj0 n GLN 49 Ca 0.12 -2.83 -0.41 0.00 -0.01 0.00 0.00 57.00 53.87 1lj0 n GLN 49 Cb 0.28 -1.73 -0.00 0.00 1.02 0.00 0.00 30.24 29.80 1lj0 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lj0 s ALA 50 N -2.92 3.57 0.00 -1.58 0.00 -0.14 -1.82 121.76 118.88 1lj0 s ALA 50 Ca 0.39 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1lj0 s ALA 50 Cb 0.33 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1lj0 s ALA 50 CO 0.05 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1lj0 n GLY 51 N 0.49 1.70 3.76 0.00 0.00 0.12 -4.68 105.19 106.57 1lj0 n GLY 51 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.46 4.09 -0.33 4.61 0.00 -0.75 -2.58 121.76 123.34 1lj0 s ALA 52 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 1lj0 s ALA 52 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1lj0 s ALA 52 CO 0.00 -0.03 0.98 0.34 0.00 0.00 0.00 175.76 177.05 1lj0 s ASP 53 N -3.87 6.80 -0.21 0.00 -1.08 -1.26 -0.77 116.67 116.27 1lj0 s ASP 53 Ca 0.06 0.83 0.14 0.00 -0.52 0.00 0.00 52.55 53.06 1lj0 s ASP 53 Cb 0.02 -2.49 0.47 0.00 -1.46 0.00 0.00 42.92 39.45 1lj0 s ASP 53 CO 0.03 -0.83 1.37 0.00 0.52 0.00 0.00 175.17 176.26 1lj0 n ALA 54 N 6.73 3.37 -0.15 3.66 0.00 0.19 -4.73 120.51 129.57 1lj0 n ALA 54 Ca 0.09 -2.75 -0.03 0.00 0.00 0.00 0.00 53.44 50.76 1lj0 n ALA 54 Cb 0.48 -0.63 0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 1.10 0.58 0.07 0.00 2.02 -1.91 -0.00 112.91 114.77 1lj0 h THR 55 Ca 0.08 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1lj0 h THR 55 Cb 1.40 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1lj0 h THR 55 CO 0.22 0.01 -0.12 -0.08 0.37 0.00 0.00 175.52 175.93 1lj0 h GLU 56 N 0.07 -0.22 -0.30 6.66 4.81 -1.94 -0.15 114.58 123.51 1lj0 h GLU 56 Ca 0.24 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1lj0 h GLU 56 Cb 0.37 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1lj0 h GLU 56 CO -0.44 -0.15 -0.18 0.77 -0.73 0.00 0.00 179.01 178.28 1lj0 h SER 57 N -0.23 0.53 -0.24 1.04 0.02 -1.87 0.13 113.55 112.93 1lj0 h SER 57 Ca 0.02 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1lj0 h SER 57 Cb 0.25 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1lj0 h SER 57 CO -0.07 0.73 0.11 0.15 -1.14 0.00 0.00 176.83 176.61 1lj0 h PHE 58 N 0.49 0.35 -0.04 3.45 3.57 -0.49 -1.93 116.94 122.34 1lj0 h PHE 58 Ca 0.08 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 1lj0 h PHE 58 Cb 0.59 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1lj0 h PHE 58 CO 0.02 0.35 -0.85 0.93 -2.23 0.00 0.00 178.31 176.54 1lj0 h GLU 59 N 0.25 0.42 -0.08 1.11 4.39 -0.90 -3.19 114.58 116.58 1lj0 h GLU 59 Ca 0.08 -0.40 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1lj0 h GLU 59 Cb 0.14 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1lj0 h GLU 59 CO -0.01 1.05 -0.26 -0.44 -1.16 0.00 0.00 179.01 178.20 1lj0 h ASP 60 N 0.26 0.14 0.37 1.42 3.32 -0.64 -1.55 116.42 119.73 1lj0 h ASP 60 Ca -0.06 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1lj0 h ASP 60 Cb 1.46 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1lj0 h ASP 60 CO 0.15 0.41 -0.34 0.58 -1.72 0.00 0.00 179.24 178.31 1lj0 h VAL 61 N 0.13 1.21 -1.56 -1.35 2.07 -1.36 -3.48 116.25 111.91 1lj0 h VAL 61 Ca 0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1lj0 h VAL 61 Cb 0.53 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1lj0 h VAL 61 CO 0.04 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1lj0 n GLY 62 N -0.51 0.49 3.76 2.17 0.00 -0.59 -5.02 105.19 105.49 1lj0 n GLY 62 Ca -0.02 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.65 2.43 0.82 1.61 3.76 -1.25 -5.00 115.29 115.02 1lj0 s HIS 63 Ca 0.00 1.40 -0.12 0.00 -0.15 0.00 0.00 55.06 56.20 1lj0 s HIS 63 Cb 0.00 -3.72 0.08 0.00 1.11 0.00 0.00 32.58 30.06 1lj0 s HIS 63 CO 0.00 -2.59 1.10 -1.54 -0.85 0.00 0.00 174.74 170.87 1lj0 s SER 64 N -1.01 4.30 0.33 1.40 1.04 -1.26 -4.85 113.70 113.64 1lj0 s SER 64 Ca 0.69 1.25 0.04 0.00 0.48 0.00 0.00 55.95 58.41 1lj0 s SER 64 Cb -0.38 -1.96 0.65 0.00 0.10 0.00 0.00 66.02 64.43 1lj0 s SER 64 CO 0.45 -2.09 1.92 -0.65 0.98 0.00 0.00 173.24 173.85 1lj0 h PRO 65 N -1.17 0.86 -0.02 4.02 0.11 -1.99 -0.87 132.00 132.93 1lj0 h PRO 65 Ca -0.48 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1lj0 h PRO 65 Cb 1.28 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1lj0 h PRO 65 CO 0.60 0.57 -0.45 -0.44 -0.21 0.00 0.00 178.00 178.06 1lj0 h ASP 66 N 0.88 0.05 -0.34 -2.05 3.32 -2.00 -0.46 116.42 115.82 1lj0 h ASP 66 Ca 0.38 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.29 1lj0 h ASP 66 Cb 0.32 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1lj0 h ASP 66 CO -0.15 0.49 -0.27 0.00 -1.72 0.00 0.00 179.24 177.59 1lj0 h ALA 67 N 1.51 0.49 -0.53 3.45 0.00 -1.55 -1.48 119.26 121.16 1lj0 h ALA 67 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1lj0 h ALA 67 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1lj0 h ALA 67 CO 0.06 0.49 0.23 0.00 0.00 0.00 0.00 179.25 180.03 1lj0 h ARG 68 N 0.55 0.78 -0.97 0.00 3.08 -0.90 -2.22 114.38 114.70 1lj0 h ARG 68 Ca 0.06 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1lj0 h ARG 68 Cb 0.84 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 1lj0 h ARG 68 CO 0.07 0.67 0.64 1.49 -1.07 0.00 0.00 179.97 181.77 1lj0 h GLU 69 N 0.71 1.27 -0.18 0.04 4.57 -0.88 -2.34 114.58 117.76 1lj0 h GLU 69 Ca 0.18 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1lj0 h GLU 69 Cb 0.17 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1lj0 h GLU 69 CO -0.02 0.84 -0.02 1.98 -1.18 0.00 0.00 179.01 180.61 1lj0 h MET 70 N 1.30 0.26 0.00 1.92 4.05 -0.94 -2.55 114.93 118.98 1lj0 h MET 70 Ca 0.36 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.68 1lj0 h MET 70 Cb -0.13 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1lj0 h MET 70 CO -0.08 0.30 -0.27 0.66 0.23 0.00 0.00 176.91 177.75 1lj0 h SER 71 N 0.25 0.00 -0.97 1.39 4.64 -0.83 -3.25 113.55 114.78 1lj0 h SER 71 Ca 0.06 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1lj0 h SER 71 Cb 0.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.22 1lj0 h SER 71 CO 0.01 0.27 0.61 0.11 -0.87 0.00 0.00 176.83 176.95 1lj0 h LYS 72 N 0.00 0.98 0.00 4.77 1.57 -1.50 -1.16 116.57 121.24 1lj0 h LYS 72 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1lj0 h LYS 72 Cb 0.61 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1lj0 h LYS 72 CO 0.03 0.65 0.00 -0.56 -0.57 0.00 0.00 179.45 179.00 1lj0 h GLN 73 N 1.01 0.00 -0.02 3.15 3.07 -1.75 -1.96 115.11 118.61 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1lj0 h GLN 73 CO -0.24 0.00 -0.30 0.66 0.09 0.00 0.00 178.83 179.04 1lj0 n TYR 74 N -2.75 0.00 -1.82 0.06 4.01 -0.44 -4.94 117.16 111.27 1lj0 n TYR 74 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1lj0 n TYR 74 Cb 0.10 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 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 -2.32 1.86 -0.12 -0.72 5.04 -0.74 -0.44 117.35 119.90 1lj0 s TYR 75 Ca 0.23 -0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.87 1lj0 s TYR 75 Cb 0.19 -4.09 -0.07 0.00 0.35 0.00 0.00 41.96 38.34 1lj0 s TYR 75 CO 0.48 -4.63 0.17 0.44 -1.34 0.00 0.00 175.55 170.67 1lj0 n ILE 76 N 5.21 0.00 -0.83 3.14 -5.35 -0.04 -4.91 119.36 116.58 1lj0 n ILE 76 Ca 0.18 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1lj0 n ILE 76 Cb 0.41 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 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 1.69 -2.13 3.81 3.28 0.00 -1.17 -4.65 105.19 106.02 1lj0 n GLY 77 Ca -0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.90 5.73 0.17 1.61 1.11 -0.46 0.91 116.67 124.84 1lj0 s ASP 78 Ca 0.00 0.04 -0.30 0.00 0.18 0.00 0.00 52.55 52.47 1lj0 s ASP 78 Cb 0.00 -1.59 -0.08 0.00 1.07 0.00 0.00 42.92 42.32 1lj0 s ASP 78 CO 0.00 0.15 1.25 -0.69 1.18 0.00 0.00 175.17 177.07 1lj0 s VAL 79 N -1.47 3.47 0.16 -1.27 1.01 -0.73 -0.54 120.40 121.03 1lj0 s VAL 79 Ca 0.31 1.19 -0.34 0.00 0.00 0.00 0.00 61.98 63.14 1lj0 s VAL 79 Cb -0.12 -3.76 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 1lj0 s VAL 79 CO 0.24 0.17 1.38 1.57 0.00 0.00 0.00 175.10 178.45 1lj0 n HIS 80 N 2.84 1.81 -0.30 5.22 -0.00 0.14 -4.76 115.22 120.17 1lj0 n HIS 80 Ca 0.06 0.50 0.17 0.00 0.46 0.00 0.00 57.72 58.92 1lj0 n HIS 80 Cb 0.44 -2.40 0.44 0.00 -0.12 0.00 0.00 29.99 28.34 1lj0 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1lj0 h PRO 81 N 4.57 0.53 -0.31 1.57 0.13 -1.92 -0.96 132.00 135.62 1lj0 h PRO 81 Ca -0.45 -0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 1lj0 h PRO 81 Cb 1.30 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1lj0 h PRO 81 CO 0.78 0.35 0.22 -0.91 -0.23 0.00 0.00 178.00 178.22 1lj0 h ASN 82 N 0.55 0.00 0.05 1.44 -0.26 -1.98 -2.37 115.58 113.00 1lj0 h ASN 82 Ca 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.28 1lj0 h ASN 82 Cb 1.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 1lj0 h ASN 82 CO -0.28 0.00 -0.05 0.47 -1.06 0.00 0.00 177.43 176.51 1lj0 n ASP 83 N -4.43 1.29 -4.81 5.81 8.00 -0.37 -4.93 116.55 117.12 1lj0 n ASP 83 Ca 0.04 -1.32 -0.25 0.00 0.71 0.00 0.00 54.79 53.97 1lj0 n ASP 83 Cb 0.39 0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.11 2.88 0.39 0.64 1.43 -0.90 -5.00 118.68 116.02 1lj0 s LEU 84 Ca 0.36 0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 53.44 1lj0 s LEU 84 Cb 0.21 -2.82 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 1lj0 s LEU 84 CO 0.38 -1.71 1.31 -1.59 0.23 0.00 0.00 176.35 174.97 1lj0 s LYS 85 N -5.25 4.07 0.47 1.70 -2.85 -1.26 -4.90 119.74 111.73 1lj0 s LYS 85 Ca 0.62 2.19 0.23 0.00 -1.00 0.00 0.00 55.97 58.00 1lj0 s LYS 85 Cb -0.09 -2.84 1.19 0.00 -2.06 0.00 0.00 37.83 34.03 1lj0 s LYS 85 CO 0.45 -0.42 1.98 -1.00 0.10 0.00 0.00 175.35 176.46 1lj0 h PRO 86 N 2.85 0.00 0.00 1.78 0.13 -1.95 -3.52 132.00 131.29 1lj0 h PRO 86 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1lj0 h PRO 86 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1lj0 h PRO 86 CO 0.63 0.19 0.00 0.36 -0.23 0.00 0.00 178.00 178.95