#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj4 s VAL 2 N 0.00 4.04 0.48 3.15 1.01 -1.26 -0.60 120.40 127.22 1lj4 s VAL 2 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1lj4 s VAL 2 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 1lj4 s VAL 2 CO 0.00 0.14 0.97 -0.36 0.00 0.00 0.00 175.10 175.84 1lj4 s PHE 3 N 1.53 3.41 0.48 5.22 0.40 0.26 -5.00 117.98 124.27 1lj4 s PHE 3 Ca 0.04 1.50 -0.12 0.00 -0.60 0.00 0.00 56.93 57.75 1lj4 s PHE 3 Cb -0.17 -2.80 -0.06 0.00 0.51 0.00 0.00 43.02 40.50 1lj4 s PHE 3 CO 0.03 -0.27 0.88 0.20 0.70 0.00 0.00 175.22 176.75 1lj4 s GLY 4 N -2.77 1.87 0.10 4.36 0.00 -1.26 -4.88 107.32 104.74 1lj4 s GLY 4 Ca 0.60 -0.12 -0.26 0.00 0.00 0.00 0.00 44.72 44.94 1lj4 s GLY 4 CO 0.25 0.11 1.66 -0.09 0.00 0.00 0.00 173.10 175.03 1lj4 h ARG 5 N 0.75 -0.39 0.00 2.90 2.43 -1.97 -1.19 114.38 116.90 1lj4 h ARG 5 Ca -0.46 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1lj4 h ARG 5 Cb 1.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1lj4 h ARG 5 CO 0.62 -0.26 -0.41 0.00 -1.51 0.00 0.00 179.97 178.41 1lj4 h GLU 7 N 0.00 0.70 -0.33 0.00 4.81 -1.88 -0.69 114.58 117.19 1lj4 h GLU 7 Ca -0.00 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 1lj4 h GLU 7 Cb 1.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1lj4 h GLU 7 CO 0.05 0.73 -0.03 1.25 -0.73 0.00 0.00 179.01 180.29 1lj4 h LEU 8 N 0.56 0.60 -0.64 1.64 6.46 -1.14 -1.70 115.31 121.08 1lj4 h LEU 8 Ca 0.13 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1lj4 h LEU 8 Cb 0.36 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 1lj4 h LEU 8 CO 0.01 0.78 0.36 0.00 -0.62 0.00 0.00 178.44 178.97 1lj4 h ALA 9 N 0.84 0.85 -0.35 1.25 0.00 -1.24 0.12 119.26 120.72 1lj4 h ALA 9 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1lj4 h ALA 9 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1lj4 h ALA 9 CO 0.02 0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.48 1lj4 h ALA 10 N 1.33 0.46 -0.69 0.00 0.00 -0.94 -1.15 119.26 118.27 1lj4 h ALA 10 Ca 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lj4 h ALA 10 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1lj4 h ALA 10 CO -0.17 0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.42 1lj4 h ALA 11 N 1.01 0.89 -0.34 0.00 0.00 -0.82 -1.77 119.26 118.24 1lj4 h ALA 11 Ca 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1lj4 h ALA 11 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1lj4 h ALA 11 CO -0.01 0.48 -0.10 0.52 0.00 0.00 0.00 179.25 180.14 1lj4 h MET 12 N 0.97 0.57 -0.40 0.00 2.86 -0.56 -2.53 114.93 115.84 1lj4 h MET 12 Ca 0.23 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1lj4 h MET 12 Cb 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1lj4 h MET 12 CO -0.02 0.67 -0.28 -0.22 1.06 0.00 0.00 176.91 178.12 1lj4 h LYS 13 N 0.53 0.86 -0.42 1.72 3.64 -0.83 -1.93 116.57 120.14 1lj4 h LYS 13 Ca 0.10 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1lj4 h LYS 13 Cb 0.50 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1lj4 h LYS 13 CO 0.03 1.02 0.28 -0.09 -2.27 0.00 0.00 179.45 178.42 1lj4 h ARG 14 N 0.73 0.52 -0.65 1.90 2.43 -1.08 -1.47 114.38 116.76 1lj4 h ARG 14 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1lj4 h ARG 14 Cb 0.83 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1lj4 h ARG 14 CO 0.07 0.34 0.00 0.72 -1.51 0.00 0.00 179.97 179.59 1lj4 n HIS 15 N -4.48 1.04 -3.36 2.20 8.25 -0.98 -4.93 115.22 112.97 1lj4 n HIS 15 Ca 0.04 -0.39 -0.19 0.00 -0.26 0.00 0.00 57.72 56.92 1lj4 n HIS 15 Cb 0.09 -0.23 0.06 0.00 1.12 0.00 0.00 29.99 31.03 1lj4 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lj4 n GLY 16 N 0.67 -0.23 0.07 -1.41 0.00 -0.55 -4.95 105.19 98.79 1lj4 n GLY 16 Ca 0.16 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1lj4 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lj4 n LEU 17 N -4.04 0.50 -4.64 0.99 7.94 -0.76 -4.56 117.00 112.43 1lj4 n LEU 17 Ca -0.01 0.20 -0.42 0.00 -1.11 0.00 0.00 56.01 54.67 1lj4 n LEU 17 Cb 0.55 0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.50 1lj4 n LEU 17 CO 0.51 -0.02 1.66 -0.62 -1.11 0.00 0.00 177.39 177.81 1lj4 s ASP 18 N -5.16 6.09 -0.73 1.96 2.15 -1.26 -1.61 116.67 118.11 1lj4 s ASP 18 Ca -0.04 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.20 1lj4 s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1lj4 s ASP 18 CO 0.84 -1.40 0.00 0.59 -0.17 0.00 0.00 175.17 175.03 1lj4 n ASN 19 N 9.13 -4.88 -4.68 -0.34 4.13 0.96 -4.86 115.26 114.73 1lj4 n ASN 19 Ca 0.23 0.17 -0.42 0.00 1.68 0.00 0.00 54.58 56.24 1lj4 n ASN 19 Cb 0.43 -2.98 -0.03 0.00 -1.54 0.00 0.00 39.78 35.66 1lj4 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1lj4 s TYR 20 N -1.90 1.82 -1.51 3.10 5.04 -0.64 -0.91 117.35 122.34 1lj4 s TYR 20 Ca 0.00 -0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.43 1lj4 s TYR 20 Cb 0.00 -4.18 0.01 0.00 0.35 0.00 0.00 41.96 38.15 1lj4 s TYR 20 CO 0.00 -5.03 0.41 0.54 -1.34 0.00 0.00 175.55 170.13 1lj4 n ARG 21 N 6.46 -3.78 -0.87 4.97 1.74 -1.26 -2.27 116.66 121.64 1lj4 n ARG 21 Ca 0.18 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 1lj4 n ARG 21 Cb 0.40 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.23 1lj4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lj4 n GLY 22 N -1.30 0.92 3.51 -0.13 0.00 -0.09 -5.02 105.19 103.08 1lj4 n GLY 22 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1lj4 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lj4 s TYR 23 N -3.67 3.20 0.66 1.61 2.02 -0.96 -4.90 117.35 115.32 1lj4 s TYR 23 Ca 0.00 -0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.29 1lj4 s TYR 23 Cb 0.00 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1lj4 s TYR 23 CO 0.00 -0.56 1.21 -1.54 -1.57 0.00 0.00 175.55 173.10 1lj4 s SER 24 N 1.76 4.68 0.33 2.29 1.04 -1.26 -0.03 113.70 122.50 1lj4 s SER 24 Ca 0.11 2.38 0.11 0.00 0.48 0.00 0.00 55.95 59.03 1lj4 s SER 24 Cb -0.17 -2.59 0.95 0.00 0.10 0.00 0.00 66.02 64.31 1lj4 s SER 24 CO 0.12 -1.94 1.71 0.25 0.98 0.00 0.00 173.24 174.36 1lj4 h LEU 25 N 0.28 0.61 -1.34 2.42 5.85 -1.89 0.58 115.31 121.83 1lj4 h LEU 25 Ca -0.49 0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.52 1lj4 h LEU 25 Cb 1.30 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 1lj4 h LEU 25 CO 0.52 0.02 0.56 1.23 -0.34 0.00 0.00 178.44 180.43 1lj4 h GLY 26 N 0.49 1.10 0.97 3.75 0.00 -1.91 -1.39 103.07 106.08 1lj4 h GLY 26 Ca 0.67 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1lj4 h GLY 26 CO -0.52 0.10 0.24 3.43 0.00 0.00 0.00 176.54 179.79 1lj4 h ASN 27 N 0.66 0.56 -0.56 0.19 2.35 -1.10 -1.22 115.58 116.46 1lj4 h ASN 27 Ca 0.42 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1lj4 h ASN 27 Cb 0.69 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1lj4 h ASN 27 CO -0.18 0.50 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.59 1lj4 h TRP 28 N 0.58 1.08 -0.41 1.19 4.06 -1.32 -0.24 115.95 120.89 1lj4 h TRP 28 Ca 0.16 -0.19 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 1lj4 h TRP 28 Cb 0.06 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 27.93 1lj4 h TRP 28 CO -0.02 0.98 0.07 0.28 -3.56 0.00 0.00 178.44 176.19 1lj4 h VAL 29 N 0.88 1.24 -0.67 1.49 2.07 -1.27 -1.00 116.25 118.99 1lj4 h VAL 29 Ca 0.16 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1lj4 h VAL 29 Cb 0.55 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1lj4 h VAL 29 CO 0.03 0.30 0.36 0.00 0.02 0.00 0.00 177.57 178.28 1lj4 h ALA 31 N 1.18 0.42 -0.82 0.00 0.00 -0.75 -2.57 119.26 116.73 1lj4 h ALA 31 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1lj4 h ALA 31 Cb 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1lj4 h ALA 31 CO -0.04 -0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.44 1lj4 h ALA 32 N 1.12 1.06 -0.05 0.00 0.00 -0.72 -0.68 119.26 120.00 1lj4 h ALA 32 Ca 0.12 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1lj4 h ALA 32 Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1lj4 h ALA 32 CO -0.03 0.67 -0.15 -0.22 0.00 0.00 0.00 179.25 179.53 1lj4 h LYS 33 N 1.18 -0.21 0.00 0.00 1.63 -0.79 -1.13 116.57 117.25 1lj4 h LYS 33 Ca 0.27 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1lj4 h LYS 33 Cb 0.20 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1lj4 h LYS 33 CO -0.03 -0.14 -0.52 0.74 -3.45 0.00 0.00 179.45 176.06 1lj4 h PHE 34 N -0.22 0.00 0.21 1.91 0.04 -1.38 0.12 116.94 117.61 1lj4 h PHE 34 Ca 0.07 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.56 1lj4 h PHE 34 Cb 0.31 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.49 1lj4 h PHE 34 CO -0.23 0.00 -1.19 0.93 -0.60 0.00 0.00 178.31 177.22 1lj4 h GLU 35 N 0.00 0.43 0.00 1.51 4.39 -1.00 -3.43 114.58 116.49 1lj4 h GLU 35 Ca 0.00 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.96 1lj4 h GLU 35 Cb 0.87 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1lj4 h GLU 35 CO 0.00 1.36 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1lj4 n SER 36 N -3.90 0.08 -3.58 1.42 3.41 -0.48 -4.82 113.62 105.75 1lj4 n SER 36 Ca -0.16 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.22 1lj4 n SER 36 Cb 0.98 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 65.01 1lj4 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lj4 n ASN 37 N -0.00 -5.40 -2.13 4.04 2.85 0.40 -2.09 115.26 112.93 1lj4 n ASN 37 Ca 0.00 -0.57 -0.19 0.00 -0.11 0.00 0.00 54.58 53.71 1lj4 n ASN 37 Cb 0.25 -4.99 -0.03 0.00 1.24 0.00 0.00 39.78 36.25 1lj4 n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1lj4 n PHE 38 N -4.82 -0.75 -3.69 1.20 3.72 -1.17 -4.81 117.46 107.13 1lj4 n PHE 38 Ca -0.05 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.97 1lj4 n PHE 38 Cb 0.58 -3.60 -0.12 0.00 -0.94 0.00 0.00 39.48 35.40 1lj4 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lj4 s ASN 39 N -2.24 5.40 0.18 4.37 3.84 -0.89 -0.58 114.94 125.03 1lj4 s ASN 39 Ca 0.00 -0.58 0.19 0.00 0.21 0.00 0.00 52.86 52.68 1lj4 s ASN 39 Cb 0.00 -1.96 0.84 0.00 -0.55 0.00 0.00 41.25 39.58 1lj4 s ASN 39 CO 0.00 -0.19 1.59 0.35 -2.79 0.00 0.00 177.10 176.05 1lj4 n THR 40 N 4.94 0.99 0.87 -5.21 -2.24 0.23 -2.78 114.28 111.09 1lj4 n THR 40 Ca -0.14 0.33 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1lj4 n THR 40 Cb 0.49 -1.23 0.05 0.00 -2.10 0.00 0.00 70.33 67.54 1lj4 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lj4 n GLN 41 N -1.99 1.71 -1.69 -0.78 6.02 -1.26 -4.09 117.38 115.29 1lj4 n GLN 41 Ca 0.02 -1.41 -0.43 0.00 -0.01 0.00 0.00 57.00 55.17 1lj4 n GLN 41 Cb 0.17 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 1lj4 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lj4 n ALA 42 N 0.67 1.32 -3.00 -1.58 0.00 -1.12 -4.74 120.51 112.07 1lj4 n ALA 42 Ca 0.11 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1lj4 n ALA 42 Cb 0.48 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 1lj4 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lj4 s THR 43 N -0.73 0.10 -0.16 0.00 -4.23 -1.26 -0.65 115.64 108.71 1lj4 s THR 43 Ca 0.59 -0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 1lj4 s THR 43 Cb -0.59 -0.39 0.08 0.00 1.34 0.00 0.00 72.50 72.94 1lj4 s THR 43 CO 0.58 -0.47 0.21 0.21 -0.54 0.00 0.00 174.62 174.61 1lj4 s ASN 44 N -1.50 1.07 -0.16 3.99 3.84 -0.28 -4.94 114.94 116.97 1lj4 s ASN 44 Ca -0.14 0.04 -0.29 0.00 0.21 0.00 0.00 52.86 52.67 1lj4 s ASN 44 Cb -0.08 0.40 -0.00 0.00 -0.55 0.00 0.00 41.25 41.02 1lj4 s ASN 44 CO -0.00 -0.29 1.03 -0.60 -2.79 0.00 0.00 177.10 174.45 1lj4 s ARG 45 N 2.33 4.35 0.30 0.43 3.00 -1.26 -0.39 118.95 127.71 1lj4 s ARG 45 Ca 0.05 1.40 0.02 0.00 -1.00 0.00 0.00 55.73 56.19 1lj4 s ARG 45 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 34.95 31.19 1lj4 s ARG 45 CO -0.10 -0.46 0.48 -0.80 0.00 0.00 0.00 175.30 174.42 1lj4 s ASN 46 N 1.17 6.31 0.26 -2.12 0.01 0.21 -4.98 114.94 115.81 1lj4 s ASN 46 Ca 0.47 0.34 0.24 0.00 -0.71 0.00 0.00 52.86 53.21 1lj4 s ASN 46 Cb -0.17 -1.98 0.96 0.00 0.41 0.00 0.00 41.25 40.46 1lj4 s ASN 46 CO 0.13 -0.21 1.73 0.35 -1.51 0.00 0.00 177.10 177.60 1lj4 n THR 47 N -1.57 0.77 0.60 1.60 -2.24 -1.26 -2.68 114.28 109.50 1lj4 n THR 47 Ca -0.06 0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.89 1lj4 n THR 47 Cb 0.56 -1.05 0.17 0.00 -2.10 0.00 0.00 70.33 67.91 1lj4 n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1lj4 n ASP 48 N -2.28 2.37 0.00 3.42 5.75 -1.26 -4.87 116.55 119.68 1lj4 n ASP 48 Ca 0.03 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1lj4 n ASP 48 Cb 0.27 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1lj4 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lj4 n GLY 49 N 0.75 0.79 3.90 6.12 0.00 -1.09 -4.76 105.19 110.89 1lj4 n GLY 49 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1lj4 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lj4 s SER 50 N -2.66 5.30 -0.02 1.61 1.04 -1.25 -4.48 113.70 113.24 1lj4 s SER 50 Ca 0.00 -0.56 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 1lj4 s SER 50 Cb 0.00 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.34 1lj4 s SER 50 CO 0.00 -0.54 0.19 0.42 0.98 0.00 0.00 173.24 174.29 1lj4 s THR 51 N -2.37 0.06 -0.14 2.02 -4.23 -1.26 0.64 115.64 110.37 1lj4 s THR 51 Ca 0.46 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.34 1lj4 s THR 51 Cb -0.06 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.30 1lj4 s THR 51 CO 0.28 -0.28 0.30 -1.81 -0.54 0.00 0.00 174.62 172.58 1lj4 s ASP 52 N -1.06 6.48 -0.04 3.99 1.01 0.48 -1.79 116.67 125.75 1lj4 s ASP 52 Ca -0.11 0.57 0.05 0.00 0.71 0.00 0.00 52.55 53.77 1lj4 s ASP 52 Cb -0.06 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1lj4 s ASP 52 CO 0.02 0.15 -0.19 -0.31 0.21 0.00 0.00 175.17 175.05 1lj4 s TYR 53 N 0.14 2.54 0.06 4.23 1.51 -0.15 -1.12 117.35 124.56 1lj4 s TYR 53 Ca 0.17 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1lj4 s TYR 53 Cb -0.13 -1.58 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1lj4 s TYR 53 CO 0.05 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 1lj4 n GLY 54 N 2.40 -1.93 0.48 0.71 0.00 0.18 -1.90 105.19 105.13 1lj4 n GLY 54 Ca -0.17 -1.35 0.30 0.00 0.00 0.00 0.00 46.02 44.80 1lj4 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lj4 h ILE 55 N -0.22 0.51 -0.31 -0.61 2.10 -1.70 0.14 117.51 117.41 1lj4 h ILE 55 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1lj4 h ILE 55 Cb 0.22 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 36.41 1lj4 h ILE 55 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.26 1lj4 n LEU 56 N -4.27 3.19 -4.12 2.19 4.77 -1.26 -4.04 117.00 113.46 1lj4 n LEU 56 Ca 0.21 -2.31 -0.45 0.00 -0.03 0.00 0.00 56.01 53.44 1lj4 n LEU 56 Cb 1.04 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1lj4 n LEU 56 CO 0.38 0.71 -0.22 0.00 -1.33 0.00 0.00 177.39 176.93 1lj4 n GLN 57 N 0.18 -0.35 -2.73 3.23 1.13 0.49 -4.89 117.38 114.45 1lj4 n GLN 57 Ca 0.14 0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 1lj4 n GLN 57 Cb 0.56 -2.68 -0.03 0.00 0.11 0.00 0.00 30.24 28.21 1lj4 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lj4 s ILE 58 N -3.67 4.85 0.17 5.09 1.01 -0.80 -4.47 121.20 123.38 1lj4 s ILE 58 Ca 0.41 2.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 1lj4 s ILE 58 Cb -0.23 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.87 1lj4 s ILE 58 CO 0.98 0.11 0.98 0.21 0.00 0.00 0.00 174.94 177.21 1lj4 s ASN 59 N 1.03 7.51 0.12 3.58 3.84 -1.26 -0.98 114.94 128.78 1lj4 s ASN 59 Ca 0.50 1.90 0.23 0.00 0.21 0.00 0.00 52.86 55.69 1lj4 s ASN 59 Cb -0.20 -2.60 0.90 0.00 -0.55 0.00 0.00 41.25 38.81 1lj4 s ASN 59 CO 0.24 -0.01 1.71 -1.54 -2.79 0.00 0.00 177.10 174.70 1lj4 n SER 60 N 2.25 0.36 0.18 -4.21 3.41 -0.74 -2.34 113.62 112.54 1lj4 n SER 60 Ca 0.01 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.23 1lj4 n SER 60 Cb 0.48 -0.65 0.51 0.00 -0.26 0.00 0.00 64.21 64.29 1lj4 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lj4 h ARG 61 N 0.00 0.12 0.00 4.33 9.65 -1.85 -3.38 114.38 123.24 1lj4 h ARG 61 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1lj4 h ARG 61 Cb 0.45 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1lj4 h ARG 61 CO 0.00 0.19 -0.67 0.91 2.80 0.00 0.00 179.97 183.21 1lj4 n TRP 62 N -4.39 0.00 -0.00 2.20 7.02 -1.22 -4.08 117.44 116.96 1lj4 n TRP 62 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.46 1lj4 n TRP 62 Cb 0.18 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.96 1lj4 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lj4 n TRP 63 N -1.79 0.66 -4.15 -5.99 7.02 -0.99 -1.12 117.44 111.09 1lj4 n TRP 63 Ca 0.00 0.22 -0.11 0.00 -1.02 0.00 0.00 57.50 56.59 1lj4 n TRP 63 Cb 0.33 -1.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.13 1lj4 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lj4 s ASN 65 N -3.09 4.73 -0.10 0.00 2.47 -0.56 -4.66 114.94 113.73 1lj4 s ASN 65 Ca 0.30 -0.29 0.14 0.00 0.42 0.00 0.00 52.86 53.43 1lj4 s ASN 65 Cb 0.06 -1.83 0.22 0.00 -1.45 0.00 0.00 41.25 38.25 1lj4 s ASN 65 CO 0.07 -0.02 1.12 -0.90 -3.72 0.00 0.00 177.10 173.64 1lj4 n ASP 66 N 4.84 2.29 0.00 -4.21 5.68 -1.26 -1.12 116.55 122.77 1lj4 n ASP 66 Ca -0.17 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.29 1lj4 n ASP 66 Cb 0.51 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1lj4 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lj4 n GLY 67 N -1.20 0.02 0.01 6.12 0.00 -1.26 -4.66 105.19 104.23 1lj4 n GLY 67 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1lj4 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lj4 n ARG 68 N -2.00 2.03 -3.86 1.61 1.85 -1.26 -5.05 116.66 109.98 1lj4 n ARG 68 Ca 0.00 -1.27 -0.35 0.00 -1.00 0.00 0.00 57.85 55.24 1lj4 n ARG 68 Cb 0.00 -0.88 -0.09 0.00 -1.05 0.00 0.00 32.46 30.44 1lj4 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lj4 s THR 69 N -0.79 5.07 0.38 8.89 2.01 -1.26 -4.91 115.64 125.02 1lj4 s THR 69 Ca 0.02 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1lj4 s THR 69 Cb 0.01 -3.31 -0.13 0.00 0.01 0.00 0.00 72.50 69.09 1lj4 s THR 69 CO 0.00 0.44 0.67 -2.65 -0.69 0.00 0.00 174.62 172.39 1lj4 n PRO 70 N 3.62 0.72 -3.50 4.92 -0.02 -1.26 -3.24 135.00 136.25 1lj4 n PRO 70 Ca -0.16 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.37 1lj4 n PRO 70 Cb 0.52 -1.57 0.06 0.00 -0.02 0.00 0.00 33.50 32.49 1lj4 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lj4 n GLY 71 N 1.65 -0.77 2.04 -1.23 0.00 -1.26 -4.63 105.19 100.99 1lj4 n GLY 71 Ca 0.12 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1lj4 n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1lj4 n SER 72 N -3.04 -0.39 -4.89 1.61 3.41 -1.20 -4.88 113.62 104.24 1lj4 n SER 72 Ca -0.17 -0.37 -0.32 0.00 -0.26 0.00 0.00 58.87 57.75 1lj4 n SER 72 Cb 0.64 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1lj4 n SER 72 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1lj4 s ARG 73 N 1.51 3.67 -0.42 4.33 1.81 -1.26 -5.03 118.95 123.56 1lj4 s ARG 73 Ca 0.00 0.01 0.08 0.00 -1.72 0.00 0.00 55.73 54.10 1lj4 s ARG 73 Cb 0.00 -2.81 0.28 0.00 -0.45 0.00 0.00 34.95 31.97 1lj4 s ARG 73 CO 0.00 0.44 0.73 -1.71 -0.68 0.00 0.00 175.30 174.08 1lj4 n ASN 74 N 0.07 -0.76 0.23 0.23 5.15 -1.21 -4.29 115.26 114.68 1lj4 n ASN 74 Ca -0.02 -3.04 0.14 0.00 -0.60 0.00 0.00 54.58 51.06 1lj4 n ASN 74 Cb 0.52 0.30 0.79 0.00 -0.53 0.00 0.00 39.78 40.86 1lj4 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lj4 h LEU 75 N 3.65 0.00 -1.10 1.20 3.38 -1.20 -0.30 115.31 120.95 1lj4 h LEU 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lj4 h LEU 75 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1lj4 h LEU 75 CO 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.88 1lj4 n ASN 77 N 0.30 -4.57 -3.55 0.00 5.15 -0.12 -4.97 115.26 107.48 1lj4 n ASN 77 Ca 0.17 -1.05 -0.14 0.00 -0.60 0.00 0.00 54.58 52.96 1lj4 n ASN 77 Cb 0.40 -3.14 -0.05 0.00 -0.53 0.00 0.00 39.78 36.46 1lj4 n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1lj4 s ILE 78 N -3.53 0.02 0.32 -1.44 -4.36 -1.26 -5.08 121.20 105.87 1lj4 s ILE 78 Ca 0.42 -0.20 -0.28 0.00 -0.26 0.00 0.00 60.65 60.33 1lj4 s ILE 78 Cb -0.16 -0.98 -0.09 0.00 1.25 0.00 0.00 42.46 42.47 1lj4 s ILE 78 CO 0.88 -0.11 1.07 -2.16 0.24 0.00 0.00 174.94 174.85 1lj4 s PRO 79 N -2.52 4.49 0.55 0.37 0.04 -1.26 -1.49 135.00 135.17 1lj4 s PRO 79 Ca -0.05 1.67 0.23 0.00 0.04 0.00 0.00 61.00 62.89 1lj4 s PRO 79 Cb -0.01 -2.96 1.46 0.00 0.04 0.00 0.00 34.50 33.03 1lj4 s PRO 79 CO -0.02 0.11 2.12 0.00 0.04 0.00 0.00 177.00 179.25 1lj4 h SER 81 N 0.00 0.00 0.46 0.00 4.64 -1.91 -0.23 113.55 116.52 1lj4 h SER 81 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1lj4 h SER 81 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1lj4 h SER 81 CO -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 1lj4 h ALA 82 N 1.93 1.07 -0.00 5.18 0.00 -1.47 -1.02 119.26 124.94 1lj4 h ALA 82 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lj4 h ALA 82 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lj4 h ALA 82 CO -0.00 0.04 -0.04 1.28 0.00 0.00 0.00 179.25 180.53 1lj4 n LEU 83 N -3.22 0.17 -0.53 0.00 4.77 -0.10 -3.31 117.00 114.78 1lj4 n LEU 83 Ca -0.01 0.16 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1lj4 n LEU 83 Cb 0.20 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1lj4 n LEU 83 CO 0.25 0.03 0.37 0.18 -1.33 0.00 0.00 177.39 176.89 1lj4 n LEU 84 N -1.14 2.05 -4.73 2.23 4.32 -0.39 -3.85 117.00 115.50 1lj4 n LEU 84 Ca 0.15 -0.74 -0.31 0.00 -0.02 0.00 0.00 56.01 55.09 1lj4 n LEU 84 Cb 0.24 -0.01 0.12 0.00 -1.62 0.00 0.00 43.42 42.14 1lj4 n LEU 84 CO 0.23 0.38 0.70 -0.55 -1.22 0.00 0.00 177.39 176.92 1lj4 s SER 85 N -2.42 3.97 0.19 -1.43 0.15 -1.21 -4.41 113.70 108.55 1lj4 s SER 85 Ca 0.20 1.98 0.26 0.00 0.70 0.00 0.00 55.95 59.09 1lj4 s SER 85 Cb 0.18 -2.54 0.88 0.00 -1.71 0.00 0.00 66.02 62.83 1lj4 s SER 85 CO 0.54 -2.40 1.78 -1.54 1.20 0.00 0.00 173.24 172.82 1lj4 n SER 86 N -3.67 0.70 -4.56 5.45 3.41 -1.26 -4.52 113.62 109.16 1lj4 n SER 86 Ca 0.10 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.88 1lj4 n SER 86 Cb 0.52 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1lj4 n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lj4 s ASP 87 N -4.31 6.39 0.00 4.04 2.15 -1.26 -4.96 116.67 118.72 1lj4 s ASP 87 Ca 0.10 0.07 0.05 0.00 0.43 0.00 0.00 52.55 53.19 1lj4 s ASP 87 Cb 0.12 -2.31 0.23 0.00 -0.30 0.00 0.00 42.92 40.67 1lj4 s ASP 87 CO 0.55 -0.57 1.16 2.30 -0.17 0.00 0.00 175.17 178.44 1lj4 n ILE 88 N 5.55 0.05 -0.05 4.11 -5.35 -1.26 -4.33 119.36 118.07 1lj4 n ILE 88 Ca -0.02 -0.06 -0.07 0.00 -0.27 0.00 0.00 62.75 62.33 1lj4 n ILE 88 Cb 0.49 -0.01 -0.01 0.00 -1.74 0.00 0.00 39.64 38.36 1lj4 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lj4 h THR 89 N 0.26 0.64 -0.52 7.28 2.02 -1.94 -0.94 112.91 119.72 1lj4 h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1lj4 h THR 89 Cb 0.06 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1lj4 h THR 89 CO 0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 1lj4 h ALA 90 N 1.14 0.66 -0.51 6.16 0.00 -1.84 -1.57 119.26 123.30 1lj4 h ALA 90 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lj4 h ALA 90 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1lj4 h ALA 90 CO -0.30 0.16 0.28 0.77 0.00 0.00 0.00 179.25 180.16 1lj4 h SER 91 N 0.69 0.63 -0.24 0.00 0.02 -1.75 -1.43 113.55 111.48 1lj4 h SER 91 Ca 0.18 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1lj4 h SER 91 Cb 0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1lj4 h SER 91 CO -0.03 0.54 0.07 0.58 -1.14 0.00 0.00 176.83 176.85 1lj4 h VAL 92 N 0.67 1.19 -0.77 2.27 2.07 -1.00 0.81 116.25 121.50 1lj4 h VAL 92 Ca 0.18 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1lj4 h VAL 92 Cb 0.05 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1lj4 h VAL 92 CO -0.03 0.20 0.32 0.78 0.02 0.00 0.00 177.57 178.86 1lj4 h ASN 93 N 0.21 1.05 -0.37 0.57 2.35 -1.21 -1.35 115.58 116.83 1lj4 h ASN 93 Ca 0.08 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1lj4 h ASN 93 Cb 0.24 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1lj4 h ASN 93 CO -0.00 0.92 -0.22 0.00 -1.65 0.00 0.00 177.43 176.48 1lj4 h ALA 95 N 0.79 1.73 -0.93 0.00 0.00 -0.40 -1.19 119.26 119.25 1lj4 h ALA 95 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lj4 h ALA 95 Cb 0.77 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1lj4 h ALA 95 CO 0.06 0.15 0.55 0.87 0.00 0.00 0.00 179.25 180.89 1lj4 h LYS 96 N 0.73 1.28 -0.14 0.00 1.57 -0.95 -0.47 116.57 118.58 1lj4 h LYS 96 Ca 0.32 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.80 1lj4 h LYS 96 Cb 0.30 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1lj4 h LYS 96 CO -0.11 0.90 -0.64 0.87 -0.57 0.00 0.00 179.45 179.90 1lj4 h LYS 97 N 1.29 0.53 -0.10 3.15 1.57 -1.18 -3.03 116.57 118.81 1lj4 h LYS 97 Ca 0.33 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1lj4 h LYS 97 Cb -0.04 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1lj4 h LYS 97 CO -0.06 1.00 0.01 0.82 -0.57 0.00 0.00 179.45 180.66 1lj4 h ILE 98 N 0.39 1.22 0.00 1.86 2.04 -0.82 -2.62 117.51 119.58 1lj4 h ILE 98 Ca -0.01 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1lj4 h ILE 98 Cb 1.21 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1lj4 h ILE 98 CO 0.12 0.20 0.00 0.55 0.00 0.00 0.00 178.15 179.02 1lj4 n VAL 99 N -4.85 0.99 1.08 1.67 3.14 -0.23 -1.25 118.33 118.88 1lj4 n VAL 99 Ca -0.06 0.33 0.12 0.00 -2.96 0.00 0.00 64.34 61.77 1lj4 n VAL 99 Cb 0.17 -1.23 0.14 0.00 -1.06 0.00 0.00 33.84 31.86 1lj4 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1lj4 n SER 100 N -2.01 2.27 0.00 6.55 7.64 -1.05 -3.70 113.62 123.32 1lj4 n SER 100 Ca 0.02 -1.65 0.11 0.00 1.01 0.00 0.00 58.87 58.35 1lj4 n SER 100 Cb 0.17 0.19 0.63 0.00 -1.01 0.00 0.00 64.21 64.19 1lj4 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1lj4 n ASP 101 N 0.50 0.00 0.00 6.43 2.03 -0.38 -4.86 116.55 120.27 1lj4 n ASP 101 Ca 0.13 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1lj4 n ASP 101 Cb 0.50 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1lj4 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lj4 n GLY 102 N 0.36 0.86 0.03 0.27 0.00 -1.26 -4.95 105.19 100.50 1lj4 n GLY 102 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1lj4 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lj4 n ASN 103 N 0.00 0.86 0.00 1.61 4.05 -1.26 -5.12 115.26 115.40 1lj4 n ASN 103 Ca 0.00 -1.51 0.00 0.00 0.45 0.00 0.00 54.58 53.52 1lj4 n ASN 103 Cb 0.00 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 40.98 1lj4 n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lj4 n GLY 104 N -0.25 2.23 0.05 8.20 0.00 -1.24 -1.74 105.19 112.44 1lj4 n GLY 104 Ca 0.01 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.82 1lj4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lj4 n MET 105 N 12.44 0.98 0.00 1.61 2.81 -1.26 -3.33 117.12 130.36 1lj4 n MET 105 Ca 0.00 -0.10 0.06 0.00 -1.81 0.00 0.00 57.70 55.85 1lj4 n MET 105 Cb 0.00 -1.50 0.32 0.00 -0.71 0.00 0.00 33.22 31.33 1lj4 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1lj4 n ASN 106 N -0.92 0.00 0.21 7.83 3.02 -0.71 -1.32 115.26 123.37 1lj4 n ASN 106 Ca 0.22 -0.02 0.14 0.00 -0.03 0.00 0.00 54.58 54.90 1lj4 n ASN 106 Cb 0.16 -0.21 0.46 0.00 -0.61 0.00 0.00 39.78 39.58 1lj4 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lj4 h ALA 107 N 2.62 1.00 -2.63 5.41 0.00 -1.69 -3.39 119.26 120.58 1lj4 h ALA 107 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1lj4 h ALA 107 Cb 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.63 1lj4 h ALA 107 CO 0.00 0.00 -0.44 -1.58 0.00 0.00 0.00 179.25 177.23 1lj4 s TRP 108 N -3.39 3.27 0.14 0.00 0.51 -0.44 -4.97 118.94 114.06 1lj4 s TRP 108 Ca 0.05 -1.05 -0.22 0.00 -2.12 0.00 0.00 56.10 52.76 1lj4 s TRP 108 Cb 0.08 -2.78 0.01 0.00 -0.81 0.00 0.00 33.47 29.97 1lj4 s TRP 108 CO 0.56 -0.73 1.66 0.28 -0.51 0.00 0.00 176.95 178.21 1lj4 h VAL 109 N 5.86 0.53 -0.58 4.03 2.07 -1.85 -1.28 116.25 125.03 1lj4 h VAL 109 Ca -0.26 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1lj4 h VAL 109 Cb 1.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1lj4 h VAL 109 CO 0.76 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.74 1lj4 h ALA 110 N 0.91 2.09 -0.34 1.67 0.00 -1.93 -0.27 119.26 121.38 1lj4 h ALA 110 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1lj4 h ALA 110 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1lj4 h ALA 110 CO -0.31 -0.22 -0.25 2.35 0.00 0.00 0.00 179.25 180.82 1lj4 h TRP 111 N 0.34 0.91 -0.31 0.00 7.01 -1.57 0.32 115.95 122.66 1lj4 h TRP 111 Ca 0.27 -0.25 -0.09 0.00 2.11 0.00 0.00 58.89 60.93 1lj4 h TRP 111 Cb 0.61 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 1lj4 h TRP 111 CO -0.00 1.01 -0.18 0.00 -2.79 0.00 0.00 178.44 176.48 1lj4 h ARG 112 N 0.55 0.56 0.15 2.65 3.08 -0.36 0.34 114.38 121.34 1lj4 h ARG 112 Ca 0.07 -0.19 -0.29 0.00 0.07 0.00 0.00 59.98 59.63 1lj4 h ARG 112 Cb 0.82 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.83 1lj4 h ARG 112 CO 0.07 0.71 -1.36 -0.91 -1.07 0.00 0.00 179.97 177.41 1lj4 h ASN 113 N 0.50 0.50 0.00 7.04 -0.26 -1.05 -3.38 115.58 118.93 1lj4 h ASN 113 Ca 0.08 -0.57 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1lj4 h ASN 113 Cb 0.60 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 1lj4 h ASN 113 CO 0.04 1.45 -0.76 0.54 -1.06 0.00 0.00 177.43 177.64 1lj4 n ARG 114 N -3.55 2.48 -0.05 0.81 5.12 0.09 -4.86 116.66 116.70 1lj4 n ARG 114 Ca -0.12 -0.02 -0.07 0.00 -1.93 0.00 0.00 57.85 55.71 1lj4 n ARG 114 Cb 1.04 -0.92 -0.05 0.00 -1.16 0.00 0.00 32.46 31.38 1lj4 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lj4 n LYS 116 N -2.76 2.33 -1.05 0.00 4.81 -0.07 -2.18 118.16 119.23 1lj4 n LYS 116 Ca -0.18 0.83 -0.02 0.00 -0.87 0.00 0.00 58.31 58.07 1lj4 n LYS 116 Cb 0.70 -2.53 -0.01 0.00 0.02 0.00 0.00 35.03 33.21 1lj4 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lj4 n GLY 117 N 1.97 0.46 3.68 3.14 0.00 -1.26 -4.98 105.19 108.19 1lj4 n GLY 117 Ca 0.09 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1lj4 n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lj4 s THR 118 N -1.76 3.15 -1.00 2.61 -1.32 -0.93 -5.04 115.64 111.35 1lj4 s THR 118 Ca 0.00 -1.83 -0.19 0.00 -1.21 0.00 0.00 61.69 58.46 1lj4 s THR 118 Cb 0.00 -2.90 0.11 0.00 -1.51 0.00 0.00 72.50 68.20 1lj4 s THR 118 CO 0.00 -0.27 1.28 -0.62 -2.21 0.00 0.00 174.62 172.80 1lj4 s ASP 119 N -3.75 6.65 0.26 8.08 2.15 -1.26 -4.81 116.67 123.98 1lj4 s ASP 119 Ca 0.35 -2.01 0.21 0.00 0.43 0.00 0.00 52.55 51.53 1lj4 s ASP 119 Cb -0.04 -2.45 0.99 0.00 -0.30 0.00 0.00 42.92 41.11 1lj4 s ASP 119 CO 0.21 -1.16 1.63 1.33 -0.17 0.00 0.00 175.17 177.02 1lj4 n VAL 120 N 5.82 1.00 0.31 1.11 0.24 -1.26 -2.21 118.33 123.34 1lj4 n VAL 120 Ca 0.29 0.47 0.18 0.00 -2.04 0.00 0.00 64.34 63.23 1lj4 n VAL 120 Cb 0.49 -1.42 0.99 0.00 -1.47 0.00 0.00 33.84 32.42 1lj4 n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1lj4 h GLN 121 N 0.00 0.00 -0.08 7.34 5.75 -1.88 -1.04 115.11 125.20 1lj4 h GLN 121 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1lj4 h GLN 121 Cb 0.18 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1lj4 h GLN 121 CO 0.00 0.02 0.04 0.00 -2.65 0.00 0.00 178.83 176.23 1lj4 h ALA 122 N 1.98 1.92 0.00 3.38 0.00 -1.84 -2.17 119.26 122.53 1lj4 h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1lj4 h ALA 122 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1lj4 h ALA 122 CO 0.00 0.07 0.00 -1.49 0.00 0.00 0.00 179.25 177.83 1lj4 h TRP 123 N 0.11 0.00 -0.24 0.00 4.06 -1.42 -1.30 115.95 117.16 1lj4 h TRP 123 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1lj4 h TRP 123 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1lj4 h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1lj4 n ILE 124 N -2.51 1.36 -1.81 1.49 -5.35 -0.83 -4.82 119.36 106.89 1lj4 n ILE 124 Ca 0.00 -1.29 -0.42 0.00 -0.27 0.00 0.00 62.75 60.77 1lj4 n ILE 124 Cb 0.18 0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 1lj4 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1lj4 s ARG 125 N -1.55 4.14 0.00 6.28 3.52 -0.49 -1.86 118.95 128.99 1lj4 s ARG 125 Ca 0.24 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 1lj4 s ARG 125 Cb 0.16 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1lj4 s ARG 125 CO 0.10 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.39 1lj4 n GLY 126 N 2.41 0.98 0.09 8.12 0.00 -1.26 -4.86 105.19 110.68 1lj4 n GLY 126 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1lj4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj4 n ARG 128 N -3.32 -0.70 0.00 0.00 1.74 -1.26 -5.11 116.66 108.02 1lj4 n ARG 128 Ca -0.13 0.20 0.16 0.00 -0.77 0.00 0.00 57.85 57.31 1lj4 n ARG 128 Cb 1.02 -1.81 0.90 0.00 -1.02 0.00 0.00 32.46 31.55 1lj4 n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39