#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s ASP 2 N 0.00 3.05 -0.16 3.42 -1.08 -1.26 -5.02 116.67 115.62 1jj2 s ASP 2 Ca 0.00 -0.90 0.16 0.00 -0.52 0.00 0.00 52.55 51.29 1jj2 s ASP 2 Cb 0.00 -0.65 0.66 0.00 -1.46 0.00 0.00 42.92 41.48 1jj2 s ASP 2 CO 0.00 -0.31 1.58 0.18 0.52 0.00 0.00 175.17 177.14 1jj2 n LEU 3 N 5.02 4.66 -0.23 -1.34 4.77 -1.26 -4.61 117.00 124.00 1jj2 n LEU 3 Ca -0.09 -2.72 -0.01 0.00 -0.03 0.00 0.00 56.01 53.16 1jj2 n LEU 3 Cb 0.47 -0.57 0.20 0.00 -2.33 0.00 0.00 43.42 41.19 1jj2 n LEU 3 CO 0.13 0.71 1.19 0.77 -1.33 0.00 0.00 177.39 178.87 1jj2 h SER 4 N 3.22 0.91 -0.21 -1.43 4.64 -1.99 -0.54 113.55 118.15 1jj2 h SER 4 Ca 0.00 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1jj2 h SER 4 Cb 1.55 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1jj2 h SER 4 CO 0.29 0.71 0.01 0.00 -0.87 0.00 0.00 176.83 176.96 1jj2 h ALA 5 N 1.45 0.29 -0.79 5.18 0.00 -2.01 -2.41 119.26 120.97 1jj2 h ALA 5 Ca 0.27 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1jj2 h ALA 5 Cb -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1jj2 h ALA 5 CO -0.05 -0.00 0.52 1.96 0.00 0.00 0.00 179.25 181.67 1jj2 h GLN 6 N 0.14 0.81 -0.71 0.00 7.50 -1.80 -0.67 115.11 120.38 1jj2 h GLN 6 Ca 0.06 -0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.19 1jj2 h GLN 6 Cb 0.39 -0.18 -0.04 0.00 0.05 0.00 0.00 27.48 27.69 1jj2 h GLN 6 CO 0.01 0.54 0.45 0.87 -1.50 0.00 0.00 178.83 179.20 1jj2 h LYS 7 N 0.83 0.87 -0.51 1.46 1.79 -0.69 0.30 116.57 120.63 1jj2 h LYS 7 Ca 0.34 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.66 1jj2 h LYS 7 Cb 0.26 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1jj2 h LYS 7 CO -0.12 0.58 -0.09 -0.09 -1.08 0.00 0.00 179.45 178.64 1jj2 h ARG 8 N 0.90 0.96 -0.19 3.15 2.43 -0.69 -1.47 114.38 119.47 1jj2 h ARG 8 Ca 0.28 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1jj2 h ARG 8 Cb -0.01 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1jj2 h ARG 8 CO -0.10 1.02 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.21 1jj2 h LEU 9 N 0.82 0.41 -0.69 3.80 3.38 -0.81 -2.87 115.31 119.35 1jj2 h LEU 9 Ca 0.13 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1jj2 h LEU 9 Cb 0.65 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1jj2 h LEU 9 CO 0.04 0.75 0.40 0.00 0.09 0.00 0.00 178.44 179.73 1jj2 h ALA 10 N 0.68 0.92 -0.71 1.53 0.00 -0.37 0.19 119.26 121.49 1jj2 h ALA 10 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jj2 h ALA 10 Cb 0.60 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1jj2 h ALA 10 CO 0.03 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.81 1jj2 h ALA 11 N 1.33 0.96 -0.04 0.00 0.00 -1.21 0.20 119.26 120.50 1jj2 h ALA 11 Ca 0.30 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 1jj2 h ALA 11 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jj2 h ALA 11 CO -0.15 0.10 -0.85 0.22 0.00 0.00 0.00 179.25 178.56 1jj2 h ASP 12 N 0.75 0.57 -0.31 0.00 1.82 -1.12 0.38 116.42 118.51 1jj2 h ASP 12 Ca 0.32 -0.42 -0.13 0.00 -0.39 0.00 0.00 57.03 56.41 1jj2 h ASP 12 Cb 0.19 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 1jj2 h ASP 12 CO -0.18 1.20 -0.30 1.62 -1.61 0.00 0.00 179.24 179.97 1jj2 h VAL 13 N 0.28 1.29 0.00 2.25 3.04 -0.20 -2.56 116.25 120.36 1jj2 h VAL 13 Ca -0.06 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 1jj2 h VAL 13 Cb 1.47 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.28 1jj2 h VAL 13 CO 0.15 0.47 0.00 0.18 -1.01 0.00 0.00 177.57 177.37 1jj2 n LEU 14 N -4.23 0.14 -3.49 3.16 4.77 0.65 -4.93 117.00 113.07 1jj2 n LEU 14 Ca -0.03 0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 56.26 1jj2 n LEU 14 Cb 0.48 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1jj2 n LEU 14 CO 0.45 -0.05 0.01 -0.67 -1.33 0.00 0.00 177.39 175.81 1jj2 n ASP 15 N -1.63 -3.51 -4.06 -1.43 -0.08 0.47 -5.01 116.55 101.30 1jj2 n ASP 15 Ca 0.07 -0.76 -0.09 0.00 -1.51 0.00 0.00 54.79 52.49 1jj2 n ASP 15 Cb 0.34 -4.61 -0.09 0.00 2.34 0.00 0.00 41.12 39.11 1jj2 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1jj2 s VAL 16 N -3.48 0.10 0.41 5.18 1.01 0.10 -5.01 120.40 118.71 1jj2 s VAL 16 Ca 0.19 -1.67 -0.26 0.00 0.00 0.00 0.00 61.98 60.24 1jj2 s VAL 16 Cb -0.04 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1jj2 s VAL 16 CO 0.77 -0.44 1.30 -0.83 0.00 0.00 0.00 175.10 175.90 1jj2 s GLY 17 N -3.00 2.92 0.44 4.51 0.00 -1.26 -4.44 107.32 106.49 1jj2 s GLY 17 Ca 0.20 1.22 0.17 0.00 0.00 0.00 0.00 44.72 46.30 1jj2 s GLY 17 CO -0.00 1.80 1.93 0.50 0.00 0.00 0.00 173.10 177.33 1jj2 h LYS 18 N 2.65 0.36 0.00 2.90 1.57 -1.90 -0.72 116.57 121.43 1jj2 h LYS 18 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1jj2 h LYS 18 Cb 1.25 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1jj2 h LYS 18 CO 0.62 0.24 0.00 -0.91 -0.57 0.00 0.00 179.45 178.83 1jj2 h ASN 19 N 0.37 0.00 0.29 0.86 2.35 -1.96 -2.43 115.58 115.06 1jj2 h ASN 19 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1jj2 h ASN 19 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1jj2 h ASN 19 CO -0.10 0.00 -0.69 0.54 -1.65 0.00 0.00 177.43 175.53 1jj2 n ARG 20 N -2.68 0.04 -2.47 0.81 1.74 -0.28 -4.91 116.66 108.90 1jj2 n ARG 20 Ca 0.00 -0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1jj2 n ARG 20 Cb 0.20 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 1jj2 n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jj2 s VAL 21 N -2.98 3.79 -0.09 1.55 -7.23 -0.92 0.19 120.40 114.71 1jj2 s VAL 21 Ca 0.10 1.53 0.03 0.00 -1.81 0.00 0.00 61.98 61.83 1jj2 s VAL 21 Cb 0.17 -3.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 1jj2 s VAL 21 CO 0.76 0.26 -0.19 0.86 -0.31 0.00 0.00 175.10 176.48 1jj2 s TRP 22 N -0.18 2.63 -0.19 2.82 -0.00 0.98 -4.92 118.94 120.08 1jj2 s TRP 22 Ca 0.50 -0.64 -0.01 0.00 -0.00 0.00 0.00 56.10 55.96 1jj2 s TRP 22 Cb -0.30 -1.70 0.01 0.00 -0.00 0.00 0.00 33.47 31.48 1jj2 s TRP 22 CO 0.35 -0.17 -0.15 -0.06 -0.00 0.00 0.00 176.95 176.93 1jj2 s PHE 23 N -0.03 2.84 -0.17 5.86 0.08 -1.26 -1.37 117.98 123.91 1jj2 s PHE 23 Ca -0.06 -1.39 -0.35 0.00 0.12 0.00 0.00 56.93 55.26 1jj2 s PHE 23 Cb -0.15 -1.98 -0.12 0.00 -0.57 0.00 0.00 43.02 40.21 1jj2 s PHE 23 CO 0.05 -0.71 1.95 -1.71 -0.10 0.00 0.00 175.22 174.70 1jj2 n ASN 24 N 4.64 3.06 0.18 1.36 2.85 -0.43 -4.82 115.26 122.10 1jj2 n ASN 24 Ca -0.20 0.82 0.18 0.00 -0.11 0.00 0.00 54.58 55.27 1jj2 n ASN 24 Cb 0.50 -1.34 0.80 0.00 1.24 0.00 0.00 39.78 40.99 1jj2 n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1jj2 h PRO 25 N 10.04 0.00 -0.01 1.20 0.11 -1.98 0.08 132.00 141.44 1jj2 h PRO 25 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jj2 h PRO 25 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jj2 h PRO 25 CO 0.96 0.00 -0.07 0.39 -0.21 0.00 0.00 178.00 179.08 1jj2 n GLU 26 N -3.64 1.18 -0.99 1.05 1.02 -1.26 -4.04 120.64 113.96 1jj2 n GLU 26 Ca 0.03 -0.54 0.03 0.00 -0.02 0.00 0.00 57.16 56.66 1jj2 n GLU 26 Cb 0.44 -1.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.52 1jj2 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jj2 n ARG 27 N -0.44 1.33 -0.37 3.49 1.74 0.01 -4.79 116.66 117.64 1jj2 n ARG 27 Ca 0.18 -3.04 -0.02 0.00 -0.77 0.00 0.00 57.85 54.19 1jj2 n ARG 27 Cb 0.29 -1.25 0.10 0.00 -1.02 0.00 0.00 32.46 30.58 1jj2 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1jj2 h GLN 28 N 1.13 1.30 -0.81 5.56 4.20 -1.70 -0.45 115.11 124.34 1jj2 h GLN 28 Ca -0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1jj2 h GLN 28 Cb 1.27 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 1jj2 h GLN 28 CO 0.08 0.86 0.49 0.78 -0.67 0.00 0.00 178.83 180.38 1jj2 h GLY 29 N 1.33 1.17 0.91 3.46 0.00 -1.92 0.30 103.07 108.33 1jj2 h GLY 29 Ca 0.36 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1jj2 h GLY 29 CO -0.08 0.47 -0.41 -0.55 0.00 0.00 0.00 176.54 175.98 1jj2 h ASP 30 N 1.11 0.66 0.15 0.19 3.32 -1.78 -2.82 116.42 117.25 1jj2 h ASP 30 Ca 0.29 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1jj2 h ASP 30 Cb -0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1jj2 h ASP 30 CO -0.06 1.11 -0.28 0.40 -1.72 0.00 0.00 179.24 178.69 1jj2 h ILE 31 N 0.24 1.25 -0.88 0.35 2.04 -0.93 -2.15 117.51 117.42 1jj2 h ILE 31 Ca -0.00 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1jj2 h ILE 31 Cb 1.01 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1jj2 h ILE 31 CO 0.09 0.36 0.58 0.00 0.00 0.00 0.00 178.15 179.17 1jj2 h ALA 32 N 1.52 1.41 0.00 1.87 0.00 -0.29 -0.77 119.26 123.00 1jj2 h ALA 32 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jj2 h ALA 32 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jj2 h ALA 32 CO 0.04 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 1jj2 n ASP 33 N -4.43 0.28 -4.64 0.00 8.00 -0.83 -4.73 116.55 110.20 1jj2 n ASP 33 Ca 0.11 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.72 1jj2 n ASP 33 Cb 0.07 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 1jj2 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jj2 s ALA 34 N -3.06 3.42 -0.06 2.24 0.00 -0.30 -4.81 121.76 119.19 1jj2 s ALA 34 Ca 0.11 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1jj2 s ALA 34 Cb 0.14 -3.81 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1jj2 s ALA 34 CO 0.48 -1.71 -0.00 -0.89 0.00 0.00 0.00 175.76 173.63 1jj2 n ILE 35 N 6.01 0.42 -3.92 0.00 2.08 -1.26 -4.87 119.36 117.82 1jj2 n ILE 35 Ca 0.18 -0.23 -0.22 0.00 0.56 0.00 0.00 62.75 63.05 1jj2 n ILE 35 Cb 0.44 -0.82 -0.04 0.00 -0.75 0.00 0.00 39.64 38.47 1jj2 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1jj2 s THR 36 N -2.15 3.59 0.33 1.39 -4.23 -1.26 -4.99 115.64 108.32 1jj2 s THR 36 Ca -0.05 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1jj2 s THR 36 Cb 0.02 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.89 1jj2 s THR 36 CO 0.23 -0.21 1.92 0.03 -0.54 0.00 0.00 174.62 176.04 1jj2 h ARG 37 N 1.36 0.72 -0.53 3.99 3.08 -1.98 -1.04 114.38 119.99 1jj2 h ARG 37 Ca -0.45 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.40 1jj2 h ARG 37 Cb 1.25 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1jj2 h ARG 37 CO 0.60 0.60 -0.03 1.49 -1.07 0.00 0.00 179.97 181.55 1jj2 h GLU 38 N 0.72 0.92 -0.57 0.04 4.57 -1.99 -0.41 114.58 117.86 1jj2 h GLU 38 Ca 0.17 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1jj2 h GLU 38 Cb 0.15 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1jj2 h GLU 38 CO -0.02 0.93 0.28 -0.44 -1.18 0.00 0.00 179.01 178.59 1jj2 h ASP 39 N 0.84 0.71 0.15 1.04 3.32 -1.62 -1.98 116.42 118.89 1jj2 h ASP 39 Ca 0.15 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1jj2 h ASP 39 Cb 0.54 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1jj2 h ASP 39 CO 0.03 0.60 -0.07 0.58 -1.72 0.00 0.00 179.24 178.66 1jj2 h VAL 40 N 0.80 1.00 -0.86 -1.35 2.07 -0.51 -2.31 116.25 115.08 1jj2 h VAL 40 Ca 0.20 -0.86 0.18 0.00 0.82 0.00 0.00 66.70 67.04 1jj2 h VAL 40 Cb 0.07 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1jj2 h VAL 40 CO -0.03 0.19 0.57 0.03 0.02 0.00 0.00 177.57 178.35 1jj2 h ARG 41 N -0.63 0.44 -0.10 1.57 3.08 -0.92 0.21 114.38 118.04 1jj2 h ARG 41 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1jj2 h ARG 41 Cb 0.47 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1jj2 h ARG 41 CO 0.03 0.29 0.02 1.49 -1.07 0.00 0.00 179.97 180.74 1jj2 h GLU 42 N 0.46 0.16 -0.01 0.04 4.81 -1.25 0.32 114.58 119.11 1jj2 h GLU 42 Ca 0.44 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1jj2 h GLU 42 Cb 1.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1jj2 h GLU 42 CO -0.17 0.35 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.15 1jj2 h LEU 43 N -0.06 0.01 -0.25 1.64 3.38 -0.51 -1.85 115.31 117.68 1jj2 h LEU 43 Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1jj2 h LEU 43 Cb 0.26 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1jj2 h LEU 43 CO 0.00 0.25 0.03 0.58 0.09 0.00 0.00 178.44 179.39 1jj2 h VAL 44 N 0.01 1.23 0.00 1.22 2.07 -0.13 -0.65 116.25 120.00 1jj2 h VAL 44 Ca -0.00 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1jj2 h VAL 44 Cb 0.43 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1jj2 h VAL 44 CO 0.03 0.25 -0.02 0.44 0.02 0.00 0.00 177.57 178.30 1jj2 h ASP 45 N 0.21 0.00 -0.18 0.57 3.32 -0.17 0.19 116.42 120.35 1jj2 h ASP 45 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jj2 h ASP 45 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1jj2 h ASP 45 CO 0.01 0.02 0.00 -0.62 -1.72 0.00 0.00 179.24 176.92 1jj2 n GLU 46 N -3.22 1.88 -0.92 3.56 1.02 -0.80 -4.91 120.64 117.26 1jj2 n GLU 46 Ca -0.02 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 1jj2 n GLU 46 Cb 0.15 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1jj2 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jj2 n GLY 47 N 1.20 0.31 0.21 0.62 0.00 0.66 -4.83 105.19 103.36 1jj2 n GLY 47 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1jj2 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 h ALA 48 N 0.00 1.10 -3.23 4.61 0.00 -1.33 -3.41 119.26 116.99 1jj2 h ALA 48 Ca 0.00 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 54.07 1jj2 h ALA 48 Cb 0.37 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 17.76 1jj2 h ALA 48 CO 0.00 0.36 -0.83 0.42 0.00 0.00 0.00 179.25 179.20 1jj2 s ILE 49 N -3.79 1.42 0.28 0.00 1.01 -1.17 -1.32 121.20 117.63 1jj2 s ILE 49 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1jj2 s ILE 49 Cb 0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1jj2 s ILE 49 CO 0.66 0.43 0.13 -1.10 0.00 0.00 0.00 174.94 175.06 1jj2 s GLN 50 N 1.19 1.49 -0.15 2.79 -0.21 -0.47 -4.48 119.66 119.82 1jj2 s GLN 50 Ca -0.03 -1.83 -0.00 0.00 0.02 0.00 0.00 55.36 53.52 1jj2 s GLN 50 Cb -0.14 -0.13 -0.00 0.00 1.00 0.00 0.00 33.01 33.74 1jj2 s GLN 50 CO -0.04 -0.39 -0.14 0.00 -2.12 0.00 0.00 175.29 172.59 1jj2 s ALA 51 N -3.71 2.53 0.80 6.09 0.00 -1.26 -0.02 121.76 126.19 1jj2 s ALA 51 Ca 0.37 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1jj2 s ALA 51 Cb 0.06 -1.24 0.07 0.00 0.00 0.00 0.00 23.12 22.01 1jj2 s ALA 51 CO 0.16 0.00 1.09 0.21 0.00 0.00 0.00 175.76 177.22 1jj2 s LYS 52 N 0.76 2.06 0.13 0.00 2.47 0.13 -4.97 119.74 120.33 1jj2 s LYS 52 Ca -0.06 1.08 -0.24 0.00 -1.56 0.00 0.00 55.97 55.19 1jj2 s LYS 52 Cb -0.15 -1.88 -0.07 0.00 -1.46 0.00 0.00 37.83 34.26 1jj2 s LYS 52 CO 0.01 -1.76 0.73 -0.51 0.16 0.00 0.00 175.35 173.98 1jj2 s ASP 53 N -3.42 7.30 0.15 1.43 1.01 -1.26 -4.95 116.67 116.93 1jj2 s ASP 53 Ca 0.61 1.54 -0.26 0.00 0.71 0.00 0.00 52.55 55.16 1jj2 s ASP 53 Cb -0.17 -2.47 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 1jj2 s ASP 53 CO 0.56 0.20 0.79 -1.59 0.21 0.00 0.00 175.17 175.34 1jj2 s LYS 54 N -1.03 4.57 0.57 8.23 -2.85 -1.26 -5.05 119.74 122.92 1jj2 s LYS 54 Ca 0.35 1.17 -0.04 0.00 -1.00 0.00 0.00 55.97 56.44 1jj2 s LYS 54 Cb -0.22 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.28 1jj2 s LYS 54 CO 0.24 0.51 0.85 -1.59 0.10 0.00 0.00 175.35 175.46 1jj2 s LYS 55 N -0.92 2.85 0.00 1.78 -2.85 -1.26 -5.10 119.74 114.25 1jj2 s LYS 55 Ca 0.37 -0.21 0.02 0.00 -1.00 0.00 0.00 55.97 55.14 1jj2 s LYS 55 Cb -0.23 -2.35 -0.01 0.00 -2.06 0.00 0.00 37.83 33.19 1jj2 s LYS 55 CO 0.26 -0.65 -0.05 0.20 0.10 0.00 0.00 175.35 175.20 1jj2 s GLY 56 N -4.32 0.28 0.23 0.59 0.00 -1.26 -5.12 107.32 97.73 1jj2 s GLY 56 Ca 0.53 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.65 1jj2 s GLY 56 CO 0.43 -0.28 1.42 -1.31 0.00 0.00 0.00 173.10 173.36 1jj2 s ASN 57 N -0.37 6.70 0.25 1.64 -0.87 -1.26 -4.96 114.94 116.06 1jj2 s ASN 57 Ca -0.00 2.61 -0.30 0.00 -1.57 0.00 0.00 52.86 53.60 1jj2 s ASN 57 Cb -0.03 -2.62 -0.09 0.00 -0.02 0.00 0.00 41.25 38.49 1jj2 s ASN 57 CO -0.00 -0.68 1.28 -0.44 -2.57 0.00 0.00 177.10 174.69 1jj2 s SER 58 N 0.44 6.92 -0.09 -1.22 0.01 -1.26 -4.91 113.70 113.59 1jj2 s SER 58 Ca 0.60 2.45 0.14 0.00 1.31 0.00 0.00 55.95 60.45 1jj2 s SER 58 Cb -0.41 -2.62 0.46 0.00 0.21 0.00 0.00 66.02 63.66 1jj2 s SER 58 CO 0.41 -0.47 1.38 0.54 0.41 0.00 0.00 173.24 175.51 1jj2 n ARG 59 N 1.93 3.04 0.25 12.44 1.74 -1.26 -4.68 116.66 130.13 1jj2 n ARG 59 Ca 0.03 -2.51 -0.16 0.00 -0.77 0.00 0.00 57.85 54.45 1jj2 n ARG 59 Cb 0.43 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 1jj2 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1jj2 h GLY 60 N 2.24 -0.70 1.91 -0.13 0.00 -2.00 0.12 103.07 104.51 1jj2 h GLY 60 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1jj2 h GLY 60 CO 0.13 -0.26 -0.13 3.21 0.00 0.00 0.00 176.54 179.49 1jj2 h ARG 61 N -0.67 0.11 -0.25 4.80 3.08 -2.01 -2.20 114.38 117.24 1jj2 h ARG 61 Ca -0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1jj2 h ARG 61 Cb 0.55 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1jj2 h ARG 61 CO 0.04 0.25 0.07 0.00 -1.07 0.00 0.00 179.97 179.26 1jj2 h ALA 62 N 1.77 0.33 -0.71 0.04 0.00 -1.71 -2.56 119.26 116.41 1jj2 h ALA 62 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1jj2 h ALA 62 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1jj2 h ALA 62 CO 0.02 -0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.53 1jj2 h ARG 63 N 0.24 1.04 -0.14 0.00 3.08 -0.19 0.13 114.38 118.54 1jj2 h ARG 63 Ca 0.08 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1jj2 h ARG 63 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1jj2 h ARG 63 CO -0.00 0.84 0.07 0.93 -1.07 0.00 0.00 179.97 180.73 1jj2 h GLU 64 N 1.02 0.19 -0.13 0.04 5.08 -1.33 -1.19 114.58 118.27 1jj2 h GLU 64 Ca 0.24 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1jj2 h GLU 64 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1jj2 h GLU 64 CO -0.02 0.23 0.02 -0.09 -1.00 0.00 0.00 179.01 178.15 1jj2 h ARG 65 N 0.11 0.07 -0.96 2.33 2.43 -1.11 -1.66 114.38 115.59 1jj2 h ARG 65 Ca 0.05 -0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 1jj2 h ARG 65 Cb 0.10 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 1jj2 h ARG 65 CO -0.01 0.04 0.61 1.96 -1.51 0.00 0.00 179.97 181.07 1jj2 h GLN 66 N 0.07 0.58 -0.05 0.20 4.20 -0.50 -1.06 115.11 118.54 1jj2 h GLN 66 Ca 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1jj2 h GLN 66 Cb 0.06 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1jj2 h GLN 66 CO -0.08 0.38 -0.04 0.87 -0.67 0.00 0.00 178.83 179.29 1jj2 h LYS 67 N 0.60 0.12 -0.18 1.46 1.57 -0.33 -1.00 116.57 118.80 1jj2 h LYS 67 Ca 0.53 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.30 1jj2 h LYS 67 Cb 1.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 1jj2 h LYS 67 CO -0.28 0.54 -0.13 0.87 -0.57 0.00 0.00 179.45 179.89 1jj2 h LYS 68 N -0.31 -0.12 -0.08 3.15 1.79 -0.55 -0.89 116.57 119.55 1jj2 h LYS 68 Ca 0.01 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1jj2 h LYS 68 Cb 0.52 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1jj2 h LYS 68 CO 0.01 -0.08 -0.20 0.00 -1.08 0.00 0.00 179.45 178.10 1jj2 h ARG 69 N -0.13 0.13 -0.02 3.15 3.08 -1.22 0.91 114.38 120.28 1jj2 h ARG 69 Ca 0.11 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1jj2 h ARG 69 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1jj2 h ARG 69 CO -0.26 0.33 -0.52 0.00 -1.07 0.00 0.00 179.97 178.45 1jj2 h ALA 70 N 1.68 1.10 -0.00 0.04 0.00 -0.55 -1.45 119.26 120.09 1jj2 h ALA 70 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jj2 h ALA 70 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jj2 h ALA 70 CO 0.03 0.66 -0.03 1.17 0.00 0.00 0.00 179.25 181.08 1jj2 n LYS 71 N -3.92 0.34 -0.03 0.00 3.00 -0.40 -4.91 118.16 112.24 1jj2 n LYS 71 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1jj2 n LYS 71 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.07 1jj2 n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jj2 n GLY 72 N 1.34 0.73 4.00 3.14 0.00 -0.55 -5.07 105.19 108.79 1jj2 n GLY 72 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1jj2 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jj2 s HIS 73 N -2.03 2.66 -1.34 1.61 3.76 0.20 -4.61 115.29 115.54 1jj2 s HIS 73 Ca 0.00 -0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1jj2 s HIS 73 Cb 0.00 -2.48 0.01 0.00 1.11 0.00 0.00 32.58 31.23 1jj2 s HIS 73 CO 0.00 -0.64 1.14 1.04 -0.85 0.00 0.00 174.74 175.43 1jj2 n GLN 74 N -2.04 -7.60 -1.79 1.40 6.02 -1.26 -3.32 117.38 108.80 1jj2 n GLN 74 Ca 0.09 0.82 0.02 0.00 -0.01 0.00 0.00 57.00 57.92 1jj2 n GLN 74 Cb 0.59 -5.85 0.02 0.00 1.02 0.00 0.00 30.24 26.02 1jj2 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jj2 n LYS 75 N -4.84 0.43 -1.60 -1.09 5.02 -1.26 -4.90 118.16 109.92 1jj2 n LYS 75 Ca -0.04 -2.22 -0.29 0.00 -2.02 0.00 0.00 58.31 53.73 1jj2 n LYS 75 Cb 0.58 -0.30 0.16 0.00 -0.02 0.00 0.00 35.03 35.45 1jj2 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jj2 s GLY 76 N -2.28 1.63 0.45 0.72 0.00 -1.26 -4.78 107.32 101.80 1jj2 s GLY 76 Ca 0.29 -0.80 0.26 0.00 0.00 0.00 0.00 44.72 44.46 1jj2 s GLY 76 CO -0.12 -0.13 1.77 0.00 0.00 0.00 0.00 173.10 174.61 1jj2 h ALA 77 N -1.69 2.59 0.00 3.20 0.00 -1.99 0.41 119.26 121.78 1jj2 h ALA 77 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jj2 h ALA 77 Cb 1.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jj2 h ALA 77 CO 0.51 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1jj2 n GLY 78 N -1.58 -1.19 0.05 0.00 0.00 -1.26 -3.18 105.19 98.02 1jj2 n GLY 78 Ca 0.26 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1jj2 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jj2 n SER 79 N -1.36 0.78 -4.80 1.61 7.64 0.14 -4.98 113.62 112.65 1jj2 n SER 79 Ca 0.10 -0.89 -0.38 0.00 1.01 0.00 0.00 58.87 58.71 1jj2 n SER 79 Cb 0.23 0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 64.30 1jj2 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jj2 s ARG 80 N -2.25 4.36 0.00 1.43 0.52 -1.13 -4.94 118.95 116.94 1jj2 s ARG 80 Ca 0.06 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 1jj2 s ARG 80 Cb 0.11 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1jj2 s ARG 80 CO 0.55 0.54 0.00 1.17 0.02 0.00 0.00 175.30 177.57 1jj2 n LYS 81 N 1.35 1.76 -2.91 3.54 3.00 -1.26 -5.04 118.16 118.60 1jj2 n LYS 81 Ca -0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.00 1jj2 n LYS 81 Cb 0.50 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.58 1jj2 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1jj2 s GLY 82 N -3.39 1.49 0.70 3.14 0.00 -1.26 -5.07 107.32 102.94 1jj2 s GLY 82 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 1jj2 s GLY 82 CO 0.00 -0.67 1.12 1.25 0.00 0.00 0.00 173.10 174.80 1jj2 s LYS 83 N -4.60 2.54 0.21 2.90 2.47 -1.26 -4.74 119.74 117.26 1jj2 s LYS 83 Ca 0.47 1.37 -0.09 0.00 -1.56 0.00 0.00 55.97 56.16 1jj2 s LYS 83 Cb -0.10 -1.92 0.32 0.00 -1.46 0.00 0.00 37.83 34.67 1jj2 s LYS 83 CO 0.40 -1.45 1.69 0.00 0.16 0.00 0.00 175.35 176.15 1jj2 h ALA 84 N -0.36 0.71 0.00 3.13 0.00 -1.97 0.40 119.26 121.17 1jj2 h ALA 84 Ca -0.46 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1jj2 h ALA 84 Cb 1.25 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1jj2 h ALA 84 CO 0.52 -0.33 -0.04 0.78 0.00 0.00 0.00 179.25 180.18 1jj2 h GLY 85 N 0.22 0.00 1.39 0.00 0.00 -1.92 -1.00 103.07 101.76 1jj2 h GLY 85 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.35 1jj2 h GLY 85 CO -0.45 0.00 -1.34 0.00 0.00 0.00 0.00 176.54 174.75 1jj2 h ALA 86 N 1.96 -0.03 -0.10 3.60 0.00 -0.60 -3.18 119.26 120.91 1jj2 h ALA 86 Ca -0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 54.91 53.91 1jj2 h ALA 86 Cb 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jj2 h ALA 86 CO 0.00 0.79 -0.60 0.00 0.00 0.00 0.00 179.25 179.45 1jj2 h ARG 87 N 0.15 0.34 -2.99 0.00 3.08 -0.57 -3.42 114.38 110.97 1jj2 h ARG 87 Ca -0.20 -0.23 -0.33 0.00 0.07 0.00 0.00 59.98 59.29 1jj2 h ARG 87 Cb 2.04 0.03 -0.37 0.00 0.08 0.00 0.00 29.97 31.75 1jj2 h ARG 87 CO 0.24 0.83 -0.66 -1.14 -1.07 0.00 0.00 179.97 178.17 1jj2 s GLN 88 N -3.82 0.06 -0.28 0.04 0.74 -0.44 -5.11 119.66 110.85 1jj2 s GLN 88 Ca -0.05 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.44 1jj2 s GLN 88 Cb 0.12 -0.74 -0.02 0.00 1.10 0.00 0.00 33.01 33.46 1jj2 s GLN 88 CO 0.81 -0.44 1.65 1.21 -0.55 0.00 0.00 175.29 177.97 1jj2 s ASN 89 N 2.26 6.20 0.44 6.67 3.84 -1.20 -4.24 114.94 128.91 1jj2 s ASN 89 Ca 0.04 1.41 0.13 0.00 0.21 0.00 0.00 52.86 54.65 1jj2 s ASN 89 Cb -0.13 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 39.06 1jj2 s ASN 89 CO -0.07 -1.44 2.00 0.77 -2.79 0.00 0.00 177.10 175.57 1jj2 h SER 90 N 11.47 0.36 -0.16 -4.21 4.64 -1.93 -0.46 113.55 123.27 1jj2 h SER 90 Ca -0.33 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.86 1jj2 h SER 90 Cb 1.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1jj2 h SER 90 CO 1.02 0.23 -0.42 0.50 -0.87 0.00 0.00 176.83 177.29 1jj2 h LYS 91 N 0.41 0.56 -0.80 4.77 3.11 -1.97 -1.86 116.57 120.78 1jj2 h LYS 91 Ca 0.25 -0.39 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 1jj2 h LYS 91 Cb 0.44 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.69 1jj2 h LYS 91 CO -0.06 1.01 0.45 1.49 -2.81 0.00 0.00 179.45 179.53 1jj2 h GLU 92 N 0.21 1.11 -0.53 1.90 4.81 -1.79 -1.58 114.58 118.71 1jj2 h GLU 92 Ca -0.01 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1jj2 h GLU 92 Cb 1.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1jj2 h GLU 92 CO 0.09 0.80 0.07 0.22 -0.73 0.00 0.00 179.01 179.47 1jj2 h ASP 93 N 1.12 0.85 -0.37 1.04 3.58 -1.00 -2.06 116.42 119.57 1jj2 h ASP 93 Ca 0.28 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 1jj2 h ASP 93 Cb 0.01 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1jj2 h ASP 93 CO -0.05 0.90 0.10 -0.25 -2.88 0.00 0.00 179.24 177.07 1jj2 h TRP 94 N 0.77 0.68 -0.50 0.28 2.91 -0.79 -0.67 115.95 118.62 1jj2 h TRP 94 Ca 0.16 -0.05 -0.11 0.00 1.13 0.00 0.00 58.89 60.02 1jj2 h TRP 94 Cb 0.42 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1jj2 h TRP 94 CO 0.03 0.59 -0.13 0.93 -1.03 0.00 0.00 178.44 178.83 1jj2 h GLU 95 N 0.65 0.95 0.58 2.65 5.08 -1.01 0.11 114.58 123.59 1jj2 h GLU 95 Ca 0.15 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1jj2 h GLU 95 Cb 0.25 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1jj2 h GLU 95 CO -0.00 1.01 -0.28 1.03 -1.00 0.00 0.00 179.01 179.77 1jj2 h SER 96 N 0.84 -0.66 0.02 1.42 0.87 -0.77 -1.82 113.55 113.46 1jj2 h SER 96 Ca 0.13 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1jj2 h SER 96 Cb 0.67 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1jj2 h SER 96 CO 0.05 -0.41 -0.02 0.03 -0.53 0.00 0.00 176.83 175.94 1jj2 h ARG 97 N -0.87 -0.05 0.00 2.24 3.08 -1.03 -1.72 114.38 116.03 1jj2 h ARG 97 Ca -0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1jj2 h ARG 97 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1jj2 h ARG 97 CO 0.13 -0.03 -0.27 0.97 -1.07 0.00 0.00 179.97 179.69 1jj2 h ILE 98 N -0.05 1.08 -0.12 2.04 -0.00 -0.83 -0.84 117.51 118.79 1jj2 h ILE 98 Ca 0.00 -0.97 -0.23 0.00 -0.00 0.00 0.00 64.86 63.66 1jj2 h ILE 98 Cb 0.05 1.54 0.01 0.00 -0.00 0.00 0.00 36.82 38.43 1jj2 h ILE 98 CO -0.01 0.27 -0.83 0.03 -0.00 0.00 0.00 178.15 177.61 1jj2 h ARG 99 N 0.00 0.77 -0.60 2.19 3.08 -1.13 -1.53 114.38 117.15 1jj2 h ARG 99 Ca -0.00 -0.66 -0.03 0.00 0.07 0.00 0.00 59.98 59.36 1jj2 h ARG 99 Cb 0.52 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1jj2 h ARG 99 CO 0.04 1.26 0.26 0.00 -1.07 0.00 0.00 179.97 180.45 1jj2 h ALA 100 N 0.54 0.78 -0.47 0.04 0.00 -0.81 -0.44 119.26 118.90 1jj2 h ALA 100 Ca -0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1jj2 h ALA 100 Cb 1.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1jj2 h ALA 100 CO 0.17 0.38 -0.06 1.96 0.00 0.00 0.00 179.25 181.69 1jj2 h GLN 101 N 0.83 0.82 -0.12 0.00 4.20 -1.13 -1.71 115.11 118.00 1jj2 h GLN 101 Ca 0.20 -0.26 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 1jj2 h GLN 101 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1jj2 h GLN 101 CO -0.02 0.87 -0.65 0.00 -0.67 0.00 0.00 178.83 178.36 1jj2 h ARG 102 N 0.75 0.45 -0.44 1.46 3.08 -0.92 -2.20 114.38 116.56 1jj2 h ARG 102 Ca 0.13 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1jj2 h ARG 102 Cb 0.55 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1jj2 h ARG 102 CO 0.03 0.95 -0.02 1.15 -1.07 0.00 0.00 179.97 181.01 1jj2 h THR 103 N 0.32 1.26 0.36 2.04 2.02 -0.94 -0.59 112.91 117.38 1jj2 h THR 103 Ca -0.01 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1jj2 h THR 103 Cb 1.21 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 1jj2 h THR 103 CO 0.11 0.37 -0.41 0.50 0.37 0.00 0.00 175.52 176.46 1jj2 h LYS 104 N 0.63 -0.78 -0.78 6.66 1.63 -1.20 -0.25 116.57 122.48 1jj2 h LYS 104 Ca 0.12 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.07 1jj2 h LYS 104 Cb 0.52 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.28 1jj2 h LYS 104 CO 0.03 -0.52 0.51 -0.07 -3.45 0.00 0.00 179.45 175.95 1jj2 h LEU 105 N -0.81 0.64 -1.03 5.20 3.38 -1.34 -0.78 115.31 120.56 1jj2 h LEU 105 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1jj2 h LEU 105 Cb 0.74 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1jj2 h LEU 105 CO -0.10 0.38 0.19 -0.09 0.09 0.00 0.00 178.44 178.92 1jj2 h ARG 106 N 0.71 0.89 -0.09 1.13 2.43 -0.01 -2.18 114.38 117.26 1jj2 h ARG 106 Ca 0.36 -0.16 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 1jj2 h ARG 106 Cb 0.45 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1jj2 h ARG 106 CO -0.14 0.76 -0.70 0.93 -1.51 0.00 0.00 179.97 179.31 1jj2 h GLU 107 N 0.86 0.63 0.00 0.20 5.08 0.33 -3.02 114.58 118.67 1jj2 h GLU 107 Ca 0.20 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1jj2 h GLU 107 Cb 0.24 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jj2 h GLU 107 CO -0.01 1.18 -0.10 -0.07 -1.00 0.00 0.00 179.01 179.01 1jj2 h LEU 108 N 0.28 0.00 0.04 1.33 3.38 -1.17 -0.11 115.31 119.06 1jj2 h LEU 108 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1jj2 h LEU 108 Cb 1.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.11 1jj2 h LEU 108 CO 0.14 0.10 -0.46 -0.09 0.09 0.00 0.00 178.44 178.22 1jj2 h ARG 109 N 0.00 0.24 -0.43 1.13 2.43 -1.35 -1.11 114.38 115.29 1jj2 h ARG 109 Ca -0.00 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1jj2 h ARG 109 Cb 0.26 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1jj2 h ARG 109 CO 0.01 1.07 -0.14 -0.44 -1.51 0.00 0.00 179.97 178.96 1jj2 h ASP 110 N -0.44 0.86 -0.16 -3.80 3.32 -1.39 -2.32 116.42 112.48 1jj2 h ASP 110 Ca -0.07 -0.38 0.05 0.00 0.02 0.00 0.00 57.03 56.65 1jj2 h ASP 110 Cb 1.26 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1jj2 h ASP 110 CO 0.09 1.04 0.21 -0.08 -1.72 0.00 0.00 179.24 178.78 1jj2 h GLU 111 N 0.67 0.00 0.00 3.56 4.81 -1.11 -3.46 114.58 119.06 1jj2 h GLU 111 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1jj2 h GLU 111 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1jj2 h GLU 111 CO 0.05 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 1jj2 n GLY 112 N -1.36 2.93 0.36 1.92 0.00 -0.87 -4.95 105.19 103.22 1jj2 n GLY 112 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.21 1jj2 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jj2 h THR 113 N 0.00 0.63 -4.18 2.61 2.02 -1.47 -3.41 112.91 109.10 1jj2 h THR 113 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 1jj2 h THR 113 Cb 0.00 0.78 -0.30 0.00 -1.74 0.00 0.00 68.15 66.88 1jj2 h THR 113 CO 0.00 0.00 -0.85 -0.76 0.37 0.00 0.00 175.52 174.28 1jj2 s LEU 114 N -8.24 2.00 0.43 2.58 1.43 -0.82 -5.00 118.68 111.05 1jj2 s LEU 114 Ca -0.05 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 1jj2 s LEU 114 Cb 0.17 -1.04 -0.10 0.00 0.03 0.00 0.00 46.19 45.26 1jj2 s LEU 114 CO 0.64 0.21 0.91 -0.94 0.23 0.00 0.00 176.35 177.41 1jj2 s SER 115 N -0.26 6.83 0.10 2.29 1.04 -1.26 -4.54 113.70 117.90 1jj2 s SER 115 Ca 0.02 1.57 0.05 0.00 0.48 0.00 0.00 55.95 58.07 1jj2 s SER 115 Cb -0.10 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.78 1jj2 s SER 115 CO 0.01 -0.38 1.00 -1.54 0.98 0.00 0.00 173.24 173.31 1jj2 n SER 116 N -0.81 0.12 -0.03 7.02 3.41 -1.26 -0.67 113.62 121.39 1jj2 n SER 116 Ca 0.06 0.42 -0.15 0.00 -0.26 0.00 0.00 58.87 58.94 1jj2 n SER 116 Cb 0.54 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1jj2 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jj2 n SER 117 N -1.57 1.40 -0.04 4.04 3.41 -1.26 -2.67 113.62 116.93 1jj2 n SER 117 Ca -0.00 0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.70 1jj2 n SER 117 Cb 0.19 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 1jj2 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1jj2 h GLN 118 N 0.03 0.22 -0.17 4.33 4.20 -1.26 -2.02 115.11 120.44 1jj2 h GLN 118 Ca -0.40 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.21 1jj2 h GLN 118 Cb 2.04 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.77 1jj2 h GLN 118 CO 0.06 0.76 -0.39 -0.92 -0.67 0.00 0.00 178.83 177.67 1jj2 h TYR 119 N -0.28 -1.10 -0.60 2.96 3.20 -1.32 0.13 116.97 119.96 1jj2 h TYR 119 Ca -0.00 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1jj2 h TYR 119 Cb 0.76 0.51 -0.10 0.00 1.54 0.00 0.00 36.73 39.44 1jj2 h TYR 119 CO 0.12 -0.45 0.02 -0.09 -1.64 0.00 0.00 178.16 176.13 1jj2 h ARG 120 N -0.44 0.13 -0.80 1.82 9.65 -1.50 0.60 114.38 123.84 1jj2 h ARG 120 Ca 0.09 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1jj2 h ARG 120 Cb 0.60 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 1jj2 h ARG 120 CO -0.41 0.09 0.42 0.22 2.80 0.00 0.00 179.97 183.09 1jj2 h ASP 121 N 0.14 1.03 -0.05 -3.80 1.82 -0.46 -1.19 116.42 113.90 1jj2 h ASP 121 Ca 0.31 -0.12 -0.25 0.00 -0.39 0.00 0.00 57.03 56.59 1jj2 h ASP 121 Cb 0.49 -0.26 0.02 0.00 0.68 0.00 0.00 39.33 40.26 1jj2 h ASP 121 CO -0.49 0.85 -0.94 -0.07 -1.61 0.00 0.00 179.24 176.98 1jj2 h LEU 122 N 1.13 0.92 0.15 2.28 3.38 0.52 -2.80 115.31 120.88 1jj2 h LEU 122 Ca 0.28 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1jj2 h LEU 122 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1jj2 h LEU 122 CO -0.04 1.49 -0.19 0.22 0.09 0.00 0.00 178.44 180.01 1jj2 h TYR 123 N 0.43 -0.49 -0.88 1.13 3.20 0.32 0.84 116.97 121.53 1jj2 h TYR 123 Ca -0.10 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.86 1jj2 h TYR 123 Cb 1.59 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.98 1jj2 h TYR 123 CO 0.10 -0.28 0.53 -0.44 -1.64 0.00 0.00 178.16 176.43 1jj2 h ASP 124 N -0.39 0.78 -0.32 -2.11 5.19 -1.29 -1.21 116.42 117.08 1jj2 h ASP 124 Ca 0.01 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.35 1jj2 h ASP 124 Cb 0.38 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1jj2 h ASP 124 CO -0.07 0.46 -0.18 0.11 -3.12 0.00 0.00 179.24 176.44 1jj2 h LYS 125 N 0.90 0.79 -0.17 3.56 1.57 -1.14 -1.85 116.57 120.23 1jj2 h LYS 125 Ca 0.41 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1jj2 h LYS 125 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jj2 h LYS 125 CO -0.23 0.91 0.07 0.00 -0.57 0.00 0.00 179.45 179.64 1jj2 h ALA 126 N 1.10 0.22 0.00 3.86 0.00 0.06 -1.10 119.26 123.41 1jj2 h ALA 126 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jj2 h ALA 126 Cb 0.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jj2 h ALA 126 CO 0.05 -0.20 -0.01 0.78 0.00 0.00 0.00 179.25 179.87 1jj2 h GLY 127 N 0.13 0.00 -0.38 0.00 0.00 -1.14 0.43 103.07 102.11 1jj2 h GLY 127 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1jj2 h GLY 127 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1jj2 n GLY 128 N -0.67 -0.07 2.29 4.60 0.00 -0.70 -4.94 105.19 105.70 1jj2 n GLY 128 Ca -0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1jj2 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 129 N 1.10 0.29 0.14 -0.02 0.00 0.15 -4.97 105.19 101.89 1jj2 n GLY 129 Ca 0.18 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1jj2 n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jj2 h GLU 130 N -1.06 0.00 -5.32 1.61 4.39 -1.36 -3.46 114.58 109.39 1jj2 h GLU 130 Ca -0.24 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.79 1jj2 h GLU 130 Cb 1.15 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.50 1jj2 h GLU 130 CO 0.23 0.00 -0.82 -0.06 -1.16 0.00 0.00 179.01 177.20 1jj2 s PHE 131 N -3.30 2.69 0.09 4.33 0.40 -1.26 -5.01 117.98 115.92 1jj2 s PHE 131 Ca 0.02 -0.86 0.20 0.00 -0.60 0.00 0.00 56.93 55.70 1jj2 s PHE 131 Cb 0.08 -1.78 0.65 0.00 0.51 0.00 0.00 43.02 42.48 1jj2 s PHE 131 CO 0.75 -0.32 1.71 -0.44 0.70 0.00 0.00 175.22 177.61 1jj2 h ASP 132 N 6.74 0.00 -5.21 1.36 3.32 -1.92 -3.48 116.42 117.25 1jj2 h ASP 132 Ca -0.23 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.90 1jj2 h ASP 132 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1jj2 h ASP 132 CO 0.52 0.34 0.42 -0.94 -1.72 0.00 0.00 179.24 177.86 1jj2 s SER 133 N -6.35 -0.02 0.06 6.45 1.04 -1.26 -4.99 113.70 108.63 1jj2 s SER 133 Ca 0.01 -0.86 -0.25 0.00 0.48 0.00 0.00 55.95 55.33 1jj2 s SER 133 Cb 0.10 0.67 -0.17 0.00 0.10 0.00 0.00 66.02 66.72 1jj2 s SER 133 CO 0.68 -1.31 1.59 0.58 0.98 0.00 0.00 173.24 175.75 1jj2 h VAL 134 N 2.00 0.98 -0.54 5.02 2.07 -1.91 -1.01 116.25 122.86 1jj2 h VAL 134 Ca -0.29 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.05 1jj2 h VAL 134 Cb 1.23 1.16 -0.10 0.00 -1.52 0.00 0.00 31.29 32.07 1jj2 h VAL 134 CO 0.37 0.07 -0.14 0.00 0.02 0.00 0.00 177.57 177.89 1jj2 h ALA 135 N 0.62 0.35 -0.55 1.67 0.00 -1.98 0.45 119.26 119.82 1jj2 h ALA 135 Ca -0.01 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1jj2 h ALA 135 Cb 0.22 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1jj2 h ALA 135 CO 0.02 -0.44 0.36 0.22 0.00 0.00 0.00 179.25 179.42 1jj2 h ASP 136 N -0.00 0.52 0.10 0.00 3.58 -1.88 0.12 116.42 118.86 1jj2 h ASP 136 Ca 0.26 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1jj2 h ASP 136 Cb 0.40 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1jj2 h ASP 136 CO -0.55 0.36 -0.05 0.25 -2.88 0.00 0.00 179.24 176.36 1jj2 h LEU 137 N 0.60 -0.12 -0.72 2.28 5.85 0.11 -2.37 115.31 120.94 1jj2 h LEU 137 Ca 0.23 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1jj2 h LEU 137 Cb 0.14 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1jj2 h LEU 137 CO -0.06 0.37 0.32 -0.33 -0.34 0.00 0.00 178.44 178.40 1jj2 h GLU 138 N -0.64 0.49 -0.09 1.25 5.08 0.22 0.25 114.58 121.14 1jj2 h GLU 138 Ca -0.01 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1jj2 h GLU 138 Cb 0.51 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1jj2 h GLU 138 CO 0.02 0.33 0.02 0.00 -1.00 0.00 0.00 179.01 178.38 1jj2 h ARG 139 N 0.51 0.06 -0.67 2.33 3.08 -0.77 -1.97 114.38 116.95 1jj2 h ARG 139 Ca 0.38 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.46 1jj2 h ARG 139 Cb 0.49 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1jj2 h ARG 139 CO -0.34 0.04 0.44 -0.92 -1.07 0.00 0.00 179.97 178.12 1jj2 h TYR 140 N 0.06 0.77 -0.85 3.04 3.20 -0.76 -2.27 116.97 120.16 1jj2 h TYR 140 Ca 0.04 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1jj2 h TYR 140 Cb 0.03 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 1jj2 h TYR 140 CO -0.11 0.45 0.56 0.82 -1.64 0.00 0.00 178.16 178.24 1jj2 h ILE 141 N 0.80 1.19 -0.03 1.81 2.04 -0.22 -2.15 117.51 120.95 1jj2 h ILE 141 Ca 0.27 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1jj2 h ILE 141 Cb 0.07 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 1jj2 h ILE 141 CO -0.07 0.20 -0.07 0.47 0.00 0.00 0.00 178.15 178.68 1jj2 n ASP 142 N -4.42 5.37 0.00 1.72 8.00 -0.85 -5.11 116.55 121.26 1jj2 n ASP 142 Ca 0.10 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1jj2 n ASP 142 Cb 0.06 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 1jj2 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81