#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o18 n LYS 4 N 0.00 0.00 -1.26 4.33 5.02 -1.26 -3.57 118.16 121.42 1o18 n LYS 4 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1o18 n LYS 4 Cb 0.00 -0.39 -0.16 0.00 -0.02 0.00 0.00 35.03 34.47 1o18 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o18 n ALA 5 N -1.22 0.57 -2.61 7.82 0.00 -1.26 -4.20 120.51 119.60 1o18 n ALA 5 Ca 0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1o18 n ALA 5 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 1o18 n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o18 s ALA 6 N 4.14 2.81 -0.87 0.00 0.00 -1.23 -4.95 121.76 121.66 1o18 s ALA 6 Ca 1.13 -1.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 1o18 s ALA 6 Cb -0.90 -4.30 0.06 0.00 0.00 0.00 0.00 23.12 17.97 1o18 s ALA 6 CO 0.44 -3.34 1.28 0.00 0.00 0.00 0.00 175.76 174.14 1o18 s ALA 7 N 5.09 2.89 -1.55 0.00 0.00 -1.26 -4.82 121.76 122.11 1o18 s ALA 7 Ca 0.38 -2.03 0.28 0.00 0.00 0.00 0.00 51.96 50.58 1o18 s ALA 7 Cb -0.06 -4.28 1.45 0.00 0.00 0.00 0.00 23.12 20.23 1o18 s ALA 7 CO 0.04 -3.30 1.96 -0.25 0.00 0.00 0.00 175.76 174.21 1o18 n ASP 8 N 8.48 0.00 0.02 0.00 10.43 -1.26 -2.31 116.55 131.90 1o18 n ASP 8 Ca 0.18 -0.27 0.12 0.00 2.57 0.00 0.00 54.79 57.39 1o18 n ASP 8 Cb 0.49 -0.23 0.52 0.00 1.84 0.00 0.00 41.12 43.75 1o18 n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1o18 n ASP 9 N -1.23 0.14 0.13 -2.24 2.03 -1.26 -1.86 116.55 112.26 1o18 n ASP 9 Ca 0.15 0.52 -0.01 0.00 0.52 0.00 0.00 54.79 55.96 1o18 n ASP 9 Cb 0.19 -0.56 0.12 0.00 -0.72 0.00 0.00 41.12 40.16 1o18 n ASP 9 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1o18 h PHE 10 N 0.00 0.00 0.00 -0.67 0.04 -1.88 -0.41 116.94 114.01 1o18 h PHE 10 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1o18 h PHE 10 Cb 0.47 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1o18 h PHE 10 CO 0.00 0.67 -0.81 -0.22 -0.60 0.00 0.00 178.31 177.35 1o18 h LYS 11 N 0.00 0.00 0.00 1.51 3.64 -1.58 -1.91 116.57 118.23 1o18 h LYS 11 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1o18 h LYS 11 Cb 1.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1o18 h LYS 11 CO 0.09 0.79 -0.63 0.93 -2.27 0.00 0.00 179.45 178.36 1o18 h GLU 12 N 0.00 0.00 0.00 1.90 5.08 -1.15 -2.44 114.58 117.97 1o18 h GLU 12 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1o18 h GLU 12 Cb 1.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 1o18 h GLU 12 CO 0.10 0.63 -0.12 0.00 -1.00 0.00 0.00 179.01 178.62 1o18 h ALA 13 N 1.37 0.93 0.00 3.43 0.00 -0.85 -2.66 119.26 121.48 1o18 h ALA 13 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1o18 h ALA 13 Cb 1.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1o18 h ALA 13 CO 0.08 0.15 -0.39 0.74 0.00 0.00 0.00 179.25 179.83 1o18 h PHE 14 N 0.00 0.00 0.00 0.00 0.05 -0.87 -1.37 116.94 114.75 1o18 h PHE 14 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1o18 h PHE 14 Cb 1.07 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.02 1o18 h PHE 14 CO 0.00 0.39 -0.01 1.28 -0.18 0.00 0.00 178.31 179.79 1o18 n LEU 15 N -3.40 0.48 0.03 1.54 4.77 -1.01 -1.61 117.00 117.80 1o18 n LEU 15 Ca 0.01 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 1o18 n LEU 15 Cb 0.57 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1o18 n LEU 15 CO 0.37 -0.10 0.01 0.18 -1.33 0.00 0.00 177.39 176.52 1o18 n LEU 16 N -1.95 0.61 -0.00 2.23 4.77 -0.56 -4.11 117.00 117.99 1o18 n LEU 16 Ca 0.06 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1o18 n LEU 16 Cb 0.39 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1o18 n LEU 16 CO 0.29 0.02 -0.29 0.49 -1.33 0.00 0.00 177.39 176.57 1o18 n PHE 17 N -2.04 0.00 -2.96 -1.77 0.99 -0.94 -4.86 117.46 105.88 1o18 n PHE 17 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.04 1o18 n PHE 17 Cb 0.45 -0.14 -0.05 0.00 -1.00 0.00 0.00 39.48 38.74 1o18 n PHE 17 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1o18 s ASP 18 N -2.99 6.41 0.12 4.37 2.15 -0.63 -4.92 116.67 121.18 1o18 s ASP 18 Ca 0.01 -0.12 0.24 0.00 0.43 0.00 0.00 52.55 53.11 1o18 s ASP 18 Cb 0.11 -2.39 0.92 0.00 -0.30 0.00 0.00 42.92 41.27 1o18 s ASP 18 CO 0.65 -0.93 1.73 0.54 -0.17 0.00 0.00 175.17 176.99 1o18 n ARG 19 N 6.75 0.12 -0.00 4.34 1.74 -1.26 -2.35 116.66 125.99 1o18 n ARG 19 Ca 0.02 0.21 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 1o18 n ARG 19 Cb 0.48 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 1o18 n ARG 19 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1o18 n THR 20 N -1.88 0.00 -0.98 0.55 -2.24 -1.26 -5.00 114.28 103.48 1o18 n THR 20 Ca 0.05 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1o18 n THR 20 Cb 0.30 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1o18 n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o18 n GLY 21 N 1.41 0.31 0.35 3.38 0.00 -0.99 -4.89 105.19 104.75 1o18 n GLY 21 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1o18 n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1o18 n ASP 22 N -0.39 1.07 -0.67 1.61 5.75 -1.26 -4.92 116.55 117.73 1o18 n ASP 22 Ca 0.00 -1.42 -0.05 0.00 -0.01 0.00 0.00 54.79 53.31 1o18 n ASP 22 Cb 0.20 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1o18 n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o18 n ALA 23 N -0.14 -0.17 -2.56 2.12 0.00 -1.26 -5.05 120.51 113.45 1o18 n ALA 23 Ca 0.19 0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 1o18 n ALA 23 Cb 0.27 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 1o18 n ALA 23 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1o18 s LYS 24 N -4.38 1.17 -0.11 0.00 1.02 -1.20 -4.25 119.74 111.98 1o18 s LYS 24 Ca 0.02 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1o18 s LYS 24 Cb -0.01 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.12 1o18 s LYS 24 CO 0.02 0.31 -0.14 0.42 -0.92 0.00 0.00 175.35 175.04 1o18 s ILE 25 N -0.68 1.44 0.82 2.17 1.01 -1.14 -4.66 121.20 120.16 1o18 s ILE 25 Ca 0.05 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 1o18 s ILE 25 Cb -0.08 -1.33 0.09 0.00 0.01 0.00 0.00 42.46 41.15 1o18 s ILE 25 CO 0.01 0.43 1.19 0.42 0.00 0.00 0.00 174.94 176.99 1o18 s THR 26 N 1.13 2.07 0.32 2.92 -4.23 -1.26 -3.14 115.64 113.44 1o18 s THR 26 Ca -0.04 0.03 0.37 0.00 -1.18 0.00 0.00 61.69 60.87 1o18 s THR 26 Cb -0.14 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 71.74 1o18 s THR 26 CO -0.04 -0.02 2.13 0.00 -0.54 0.00 0.00 174.62 176.15 1o18 h ALA 27 N -1.06 1.01 0.00 3.99 0.00 -1.79 -0.95 119.26 120.46 1o18 h ALA 27 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1o18 h ALA 27 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1o18 h ALA 27 CO 0.45 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 1o18 n SER 28 N -3.11 0.82 0.02 0.00 3.41 -1.26 -2.62 113.62 110.88 1o18 n SER 28 Ca -0.01 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1o18 n SER 28 Cb 0.22 -0.81 0.03 0.00 -0.26 0.00 0.00 64.21 63.39 1o18 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o18 n GLN 29 N -2.29 0.22 0.19 4.33 6.02 -0.37 -4.32 117.38 121.17 1o18 n GLN 29 Ca 0.05 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1o18 n GLN 29 Cb 0.40 -1.57 0.36 0.00 1.02 0.00 0.00 30.24 30.45 1o18 n GLN 29 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1o18 h VAL 30 N 0.00 1.26 -0.12 5.09 2.07 -1.49 -1.08 116.25 121.97 1o18 h VAL 30 Ca 0.00 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1o18 h VAL 30 Cb 0.68 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1o18 h VAL 30 CO 0.00 0.37 0.04 1.23 0.02 0.00 0.00 177.57 179.23 1o18 h GLY 31 N 1.14 0.20 2.00 2.17 0.00 -1.75 -0.96 103.07 105.87 1o18 h GLY 31 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1o18 h GLY 31 CO 0.05 0.11 -0.39 -0.55 0.00 0.00 0.00 176.54 175.76 1o18 h ASP 32 N 0.03 0.00 1.50 0.19 3.45 -1.61 -2.67 116.42 117.31 1o18 h ASP 32 Ca 0.04 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1o18 h ASP 32 Cb 0.20 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1o18 h ASP 32 CO -0.00 0.39 -0.51 0.40 -1.57 0.00 0.00 179.24 177.95 1o18 h ILE 33 N 0.00 0.13 -0.04 0.35 2.04 -1.00 -1.16 117.51 117.82 1o18 h ILE 33 Ca -0.00 -1.20 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1o18 h ILE 33 Cb 1.12 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1o18 h ILE 33 CO 0.05 0.07 -0.71 0.00 0.00 0.00 0.00 178.15 177.57 1o18 h ALA 34 N 1.91 0.72 -0.11 1.87 0.00 -0.85 -1.38 119.26 121.41 1o18 h ALA 34 Ca -0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 1o18 h ALA 34 Cb 1.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1o18 h ALA 34 CO 0.01 0.80 -0.57 0.00 0.00 0.00 0.00 179.25 179.49 1o18 h ARG 35 N 0.16 0.33 0.00 0.00 3.08 -1.20 -1.62 114.38 115.13 1o18 h ARG 35 Ca -0.02 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1o18 h ARG 35 Cb 1.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1o18 h ARG 35 CO 0.11 0.80 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 1o18 n ALA 36 N -2.48 2.27 1.09 0.04 0.00 -0.46 -1.87 120.51 119.10 1o18 n ALA 36 Ca -0.02 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1o18 n ALA 36 Cb 0.60 -1.45 0.16 0.00 0.00 0.00 0.00 19.45 18.76 1o18 n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1o18 n LEU 37 N -1.49 2.47 0.00 0.00 4.77 -0.56 -4.95 117.00 117.24 1o18 n LEU 37 Ca 0.07 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1o18 n LEU 37 Cb 0.32 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1o18 n LEU 37 CO 0.26 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1o18 n GLY 38 N 1.33 1.24 2.86 -0.72 0.00 -0.78 -5.09 105.19 104.04 1o18 n GLY 38 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1o18 n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1o18 s GLN 39 N -0.22 0.49 -0.78 1.61 -1.52 -0.67 -5.02 119.66 113.55 1o18 s GLN 39 Ca 0.00 -0.02 0.03 0.00 -1.95 0.00 0.00 55.36 53.41 1o18 s GLN 39 Cb 0.00 -0.58 0.27 0.00 -0.22 0.00 0.00 33.01 32.48 1o18 s GLN 39 CO 0.00 -0.08 0.97 0.09 -0.25 0.00 0.00 175.29 176.02 1o18 n ASN 40 N 3.92 4.58 -4.75 5.90 3.02 -1.26 -2.52 115.26 124.15 1o18 n ASN 40 Ca -0.25 -3.42 -0.40 0.00 -0.03 0.00 0.00 54.58 50.48 1o18 n ASN 40 Cb 0.52 -0.87 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 1o18 n ASN 40 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1o18 s PRO 41 N -2.53 4.77 0.75 3.52 0.04 -1.26 -5.00 135.00 135.29 1o18 s PRO 41 Ca 0.37 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1o18 s PRO 41 Cb 0.11 -3.29 0.05 0.00 0.04 0.00 0.00 34.50 31.41 1o18 s PRO 41 CO 0.02 0.37 1.15 0.95 0.04 0.00 0.00 177.00 179.53 1o18 s THR 42 N -0.84 2.67 0.29 1.26 -4.23 -1.26 -4.81 115.64 108.71 1o18 s THR 42 Ca 0.44 0.29 0.24 0.00 -1.18 0.00 0.00 61.69 61.48 1o18 s THR 42 Cb -0.27 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.07 1o18 s THR 42 CO 0.33 -0.21 1.93 0.78 -0.54 0.00 0.00 174.62 176.91 1o18 h ASN 43 N -0.57 0.00 0.81 3.99 -0.26 -1.99 -0.98 115.58 116.59 1o18 h ASN 43 Ca -0.46 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.17 1o18 h ASN 43 Cb 1.27 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.51 1o18 h ASN 43 CO 0.50 0.20 -0.54 0.00 -1.06 0.00 0.00 177.43 176.53 1o18 h ALA 44 N 1.80 0.90 0.00 -0.83 0.00 -1.98 -0.37 119.26 118.78 1o18 h ALA 44 Ca -0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 1o18 h ALA 44 Cb 0.56 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1o18 h ALA 44 CO 0.03 0.68 -0.98 1.49 0.00 0.00 0.00 179.25 180.46 1o18 h GLU 45 N 0.00 0.51 -0.06 0.00 4.81 -1.57 0.90 114.58 119.17 1o18 h GLU 45 Ca -0.01 -0.56 -0.14 0.00 -0.13 0.00 0.00 59.36 58.53 1o18 h GLU 45 Cb 1.10 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1o18 h GLU 45 CO 0.07 1.19 -0.58 0.82 -0.73 0.00 0.00 179.01 179.78 1o18 h ILE 46 N 0.29 1.38 -0.08 2.32 2.04 -1.05 -2.17 117.51 120.25 1o18 h ILE 46 Ca -0.10 -1.93 -0.09 0.00 1.00 0.00 0.00 64.86 63.74 1o18 h ILE 46 Cb 1.63 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1o18 h ILE 46 CO 0.18 0.57 -0.31 -1.13 0.00 0.00 0.00 178.15 177.46 1o18 h ASN 47 N 0.15 0.40 0.39 1.72 -1.24 -0.94 -3.07 115.58 112.99 1o18 h ASN 47 Ca -0.00 -0.63 -0.02 0.00 0.71 0.00 0.00 56.30 56.35 1o18 h ASN 47 Cb 1.06 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.00 1o18 h ASN 47 CO 0.09 0.97 -0.19 0.11 -1.29 0.00 0.00 177.43 177.12 1o18 h LYS 48 N -0.14 -0.51 -0.65 6.67 1.79 -0.77 -2.19 116.57 120.77 1o18 h LYS 48 Ca -0.02 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.63 1o18 h LYS 48 Cb 0.95 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 31.61 1o18 h LYS 48 CO 0.06 -0.25 0.03 0.82 -1.08 0.00 0.00 179.45 179.03 1o18 h ILE 49 N -0.69 0.48 0.29 1.86 2.04 -1.53 1.47 117.51 121.44 1o18 h ILE 49 Ca -0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1o18 h ILE 49 Cb 0.49 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1o18 h ILE 49 CO 0.09 0.02 -0.39 -0.07 0.00 0.00 0.00 178.15 177.80 1o18 h LEU 50 N 0.14 -1.10 -0.79 1.44 3.38 -1.42 -1.50 115.31 115.45 1o18 h LEU 50 Ca 0.35 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.35 1o18 h LEU 50 Cb 0.57 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1o18 h LEU 50 CO -0.54 -0.51 0.12 1.23 0.09 0.00 0.00 178.44 178.82 1o18 h GLY 51 N -0.74 1.11 -0.07 0.83 0.00 -0.69 -1.14 103.07 102.36 1o18 h GLY 51 Ca -0.01 -0.71 0.10 0.00 0.00 0.00 0.00 47.33 46.72 1o18 h GLY 51 CO -0.13 0.66 -0.15 3.43 0.00 0.00 0.00 176.54 180.35 1o18 h ASN 52 N 0.97 -0.55 0.00 0.19 2.35 0.24 0.38 115.58 119.16 1o18 h ASN 52 Ca 0.20 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1o18 h ASN 52 Cb 0.40 0.35 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1o18 h ASN 52 CO 0.01 -0.19 0.00 -0.81 -1.65 0.00 0.00 177.43 174.79 1o18 n PRO 53 N -5.38 0.94 -4.31 0.81 -0.04 -0.60 -4.87 135.00 121.55 1o18 n PRO 53 Ca 0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 1o18 n PRO 53 Cb 0.29 -1.08 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 1o18 n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1o18 n SER 54 N 0.47 -2.71 -4.40 3.54 3.41 0.13 -4.92 113.62 109.15 1o18 n SER 54 Ca 0.00 -1.09 -0.36 0.00 -0.26 0.00 0.00 58.87 57.17 1o18 n SER 54 Cb 0.44 -2.41 -0.13 0.00 -0.26 0.00 0.00 64.21 61.85 1o18 n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1o18 s LYS 55 N -7.02 3.55 -0.29 4.33 1.02 -0.47 -5.01 119.74 115.86 1o18 s LYS 55 Ca 0.73 -0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.07 1o18 s LYS 55 Cb -0.41 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1o18 s LYS 55 CO 0.96 -0.19 0.23 -1.21 -0.92 0.00 0.00 175.35 174.22 1o18 s GLU 56 N 1.55 3.85 0.00 1.68 2.02 -1.26 -3.40 118.70 123.14 1o18 s GLU 56 Ca 0.06 -0.34 0.14 0.00 0.02 0.00 0.00 54.97 54.85 1o18 s GLU 56 Cb -0.15 -3.70 0.49 0.00 0.10 0.00 0.00 34.13 30.88 1o18 s GLU 56 CO 0.01 -0.26 1.37 0.39 0.02 0.00 0.00 175.26 176.79 1o18 n GLU 57 N 5.12 1.72 -0.02 1.61 1.02 -1.26 -3.80 120.64 125.03 1o18 n GLU 57 Ca -0.13 -1.11 -0.07 0.00 -0.02 0.00 0.00 57.16 55.83 1o18 n GLU 57 Cb 0.51 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.49 1o18 n GLU 57 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1o18 n MET 58 N 0.37 0.64 -3.94 3.49 2.81 -1.26 -4.92 117.12 114.31 1o18 n MET 58 Ca 0.13 0.25 -0.21 0.00 -1.81 0.00 0.00 57.70 56.06 1o18 n MET 58 Cb 0.29 -1.76 -0.04 0.00 -0.71 0.00 0.00 33.22 31.00 1o18 n MET 58 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1o18 s ASN 59 N -5.96 5.48 0.38 7.83 0.01 -1.25 -5.07 114.94 116.37 1o18 s ASN 59 Ca -0.05 -0.34 -0.24 0.00 -0.71 0.00 0.00 52.86 51.53 1o18 s ASN 59 Cb 0.08 -1.23 -0.13 0.00 0.41 0.00 0.00 41.25 40.38 1o18 s ASN 59 CO 0.82 -0.20 0.59 0.00 -1.51 0.00 0.00 177.10 176.80 1o18 n ALA 60 N -1.30 -1.51 -2.91 0.60 0.00 -1.26 -4.98 120.51 109.14 1o18 n ALA 60 Ca -0.05 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1o18 n ALA 60 Cb 0.59 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 1o18 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o18 s ALA 61 N -1.38 -0.05 0.33 0.00 0.00 -1.26 -5.03 121.76 114.36 1o18 s ALA 61 Ca 0.63 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1o18 s ALA 61 Cb -0.65 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 1o18 s ALA 61 CO 0.58 -0.23 0.10 0.00 0.00 0.00 0.00 175.76 176.22 1o18 s ALA 62 N -1.87 2.31 0.19 0.00 0.00 -1.26 -4.51 121.76 116.62 1o18 s ALA 62 Ca -0.12 -1.75 -0.16 0.00 0.00 0.00 0.00 51.96 49.93 1o18 s ALA 62 Cb -0.06 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1o18 s ALA 62 CO -0.02 -0.38 0.49 0.42 0.00 0.00 0.00 175.76 176.27 1o18 s ILE 63 N -3.42 0.03 0.04 0.00 1.01 -1.19 -4.49 121.20 113.19 1o18 s ILE 63 Ca 0.33 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1o18 s ILE 63 Cb 0.06 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1o18 s ILE 63 CO 0.15 -0.15 -0.20 0.42 0.00 0.00 0.00 174.94 175.16 1o18 s THR 64 N -3.88 1.61 0.53 2.92 -4.23 -1.26 -2.86 115.64 108.47 1o18 s THR 64 Ca 0.10 -1.19 0.20 0.00 -1.18 0.00 0.00 61.69 59.62 1o18 s THR 64 Cb -0.00 -1.41 0.32 0.00 1.34 0.00 0.00 72.50 72.75 1o18 s THR 64 CO -0.03 0.18 2.11 0.15 -0.54 0.00 0.00 174.62 176.49 1o18 h PHE 65 N 4.86 0.00 0.00 3.99 3.04 -1.98 -1.90 116.94 124.95 1o18 h PHE 65 Ca -0.42 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1o18 h PHE 65 Cb 1.16 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1o18 h PHE 65 CO 0.51 0.00 0.00 0.39 -2.02 0.00 0.00 178.31 177.19 1o18 n GLU 66 N -4.39 0.09 -0.05 1.11 4.71 -1.26 -1.35 120.64 119.51 1o18 n GLU 66 Ca 0.01 0.11 -0.04 0.00 -0.01 0.00 0.00 57.16 57.22 1o18 n GLU 66 Cb 0.24 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.09 1o18 n GLU 66 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1o18 n GLU 67 N -1.44 2.06 0.08 3.49 1.02 -0.75 -4.53 120.64 120.57 1o18 n GLU 67 Ca 0.07 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1o18 n GLU 67 Cb 0.24 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1o18 n GLU 67 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1o18 h PHE 68 N 0.00 0.57 0.60 -0.32 3.04 -1.29 -2.30 116.94 117.24 1o18 h PHE 68 Ca -0.26 -0.33 -0.03 0.00 3.98 0.00 0.00 57.97 61.33 1o18 h PHE 68 Cb 1.54 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 40.00 1o18 h PHE 68 CO 0.00 1.17 -0.29 1.25 -2.02 0.00 0.00 178.31 178.43 1o18 h LEU 69 N 0.19 -0.68 -2.10 0.59 5.85 -1.48 -1.07 115.31 116.61 1o18 h LEU 69 Ca -0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1o18 h LEU 69 Cb 1.67 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 1o18 h LEU 69 CO 0.17 -0.48 -0.03 1.55 -0.34 0.00 0.00 178.44 179.31 1o18 h PRO 70 N -0.82 0.00 0.00 5.25 0.13 -1.79 -1.49 132.00 133.28 1o18 h PRO 70 Ca -0.08 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.90 1o18 h PRO 70 Cb 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1o18 h PRO 70 CO 0.13 0.03 -0.70 0.52 -0.23 0.00 0.00 178.00 177.75 1o18 h MET 71 N 0.00 0.00 0.00 0.86 2.86 -0.94 -0.67 114.93 117.04 1o18 h MET 71 Ca -0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1o18 h MET 71 Cb 0.30 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1o18 h MET 71 CO 0.00 0.70 -0.69 1.25 1.06 0.00 0.00 176.91 179.23 1o18 h LEU 72 N 0.00 0.00 0.00 1.22 5.85 -0.24 -1.76 115.31 120.39 1o18 h LEU 72 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1o18 h LEU 72 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1o18 h LEU 72 CO 0.09 0.69 -0.13 1.56 -0.34 0.00 0.00 178.44 180.31 1o18 h GLN 73 N 0.00 0.00 0.00 1.25 4.20 -1.04 -1.41 115.11 118.11 1o18 h GLN 73 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1o18 h GLN 73 Cb 1.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1o18 h GLN 73 CO 0.09 0.00 -0.75 0.00 -0.67 0.00 0.00 178.83 177.50 1o18 h ALA 74 N 2.06 0.69 0.00 3.87 0.00 -0.80 -3.24 119.26 121.84 1o18 h ALA 74 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1o18 h ALA 74 Cb 0.97 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1o18 h ALA 74 CO 0.00 0.36 -0.59 0.00 0.00 0.00 0.00 179.25 179.02 1o18 h ALA 75 N 1.75 0.70 0.00 0.00 0.00 -1.01 -3.34 119.26 117.36 1o18 h ALA 75 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1o18 h ALA 75 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1o18 h ALA 75 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1o18 n ALA 76 N -2.12 1.91 0.32 0.00 0.00 -0.56 -1.43 120.51 118.62 1o18 n ALA 76 Ca 0.02 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1o18 n ALA 76 Cb 0.53 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.79 1o18 n ALA 76 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1o18 h ASN 77 N 0.00 0.00 -0.22 0.00 2.35 -1.73 -3.23 115.58 112.75 1o18 h ASN 77 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1o18 h ASN 77 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1o18 h ASN 77 CO 0.00 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 1o18 n ASN 78 N -2.71 1.79 0.00 5.81 3.02 -0.52 -3.55 115.26 119.10 1o18 n ASN 78 Ca 0.03 -1.78 0.11 0.00 -0.03 0.00 0.00 54.58 52.92 1o18 n ASN 78 Cb 0.50 -0.14 0.57 0.00 -0.61 0.00 0.00 39.78 40.11 1o18 n ASN 78 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1o18 n LYS 79 N 0.42 0.30 0.00 3.52 2.85 -1.22 -2.11 118.16 121.91 1o18 n LYS 79 Ca 0.15 0.07 0.14 0.00 -1.05 0.00 0.00 58.31 57.63 1o18 n LYS 79 Cb 0.33 -1.50 0.79 0.00 -0.65 0.00 0.00 35.03 34.00 1o18 n LYS 79 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1o18 n ASP 80 N -1.30 0.00 -0.11 -5.58 8.00 -1.23 -2.30 116.55 114.02 1o18 n ASP 80 Ca 0.10 -0.44 0.13 0.00 0.71 0.00 0.00 54.79 55.30 1o18 n ASP 80 Cb 0.19 -0.17 0.48 0.00 -0.02 0.00 0.00 41.12 41.60 1o18 n ASP 80 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1o18 n GLN 81 N -1.17 0.51 -2.32 -1.24 7.27 -0.90 -4.62 117.38 114.91 1o18 n GLN 81 Ca 0.17 -0.22 -0.42 0.00 0.07 0.00 0.00 57.00 56.60 1o18 n GLN 81 Cb 0.18 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.34 1o18 n GLN 81 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1o18 n GLY 82 N 1.36 4.83 3.65 1.69 0.00 -0.97 -4.96 105.19 110.79 1o18 n GLY 82 Ca 0.11 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1o18 n GLY 82 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1o18 s THR 83 N 0.14 5.24 -1.17 2.61 -1.32 -1.26 -4.97 115.64 114.91 1o18 s THR 83 Ca 0.41 0.50 0.26 0.00 -1.21 0.00 0.00 61.69 61.64 1o18 s THR 83 Cb 0.10 -3.65 0.30 0.00 -1.51 0.00 0.00 72.50 67.75 1o18 s THR 83 CO -0.00 0.25 1.84 2.22 -2.21 0.00 0.00 174.62 176.72 1o18 n PHE 84 N 4.66 0.00 -0.07 9.09 -1.74 -1.26 -2.47 117.46 125.67 1o18 n PHE 84 Ca -0.10 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.64 1o18 n PHE 84 Cb 0.51 -0.42 -0.04 0.00 1.52 0.00 0.00 39.48 41.06 1o18 n PHE 84 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 1o18 h GLU 85 N 0.00 0.85 0.00 3.97 3.07 -2.00 -2.38 114.58 118.09 1o18 h GLU 85 Ca 0.00 -0.56 0.00 0.00 -0.50 0.00 0.00 59.36 58.30 1o18 h GLU 85 Cb 0.36 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1o18 h GLU 85 CO 0.00 1.19 0.00 -0.44 -1.40 0.00 0.00 179.01 178.36 1o18 h ASP 86 N 0.65 0.00 0.21 1.42 3.32 -1.91 -0.92 116.42 119.19 1o18 h ASP 86 Ca 0.01 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 1o18 h ASP 86 Cb 1.18 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.76 1o18 h ASP 86 CO 0.13 0.00 -1.31 -0.26 -1.72 0.00 0.00 179.24 176.08 1o18 h PHE 87 N 0.00 0.96 0.00 4.55 0.05 -1.48 -0.94 116.94 120.08 1o18 h PHE 87 Ca 0.00 -0.63 -0.16 0.00 3.82 0.00 0.00 57.97 60.99 1o18 h PHE 87 Cb 0.96 -0.06 -0.02 0.00 2.00 0.00 0.00 35.95 38.82 1o18 h PHE 87 CO 0.00 1.48 -0.78 0.28 -0.18 0.00 0.00 178.31 179.11 1o18 h VAL 88 N 0.23 1.35 0.00 -0.55 2.07 -1.17 -2.92 116.25 115.25 1o18 h VAL 88 Ca -0.20 -2.89 -0.10 0.00 0.82 0.00 0.00 66.70 64.33 1o18 h VAL 88 Cb 1.98 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 34.40 1o18 h VAL 88 CO 0.25 0.76 -0.46 -0.33 0.02 0.00 0.00 177.57 177.81 1o18 h GLU 89 N 0.00 0.00 -0.06 1.57 5.08 -1.16 -0.66 114.58 119.36 1o18 h GLU 89 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1o18 h GLU 89 Cb 1.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1o18 h GLU 89 CO 0.10 0.46 0.02 0.78 -1.00 0.00 0.00 179.01 179.37 1o18 h GLY 90 N 3.21 0.09 2.00 -3.84 0.00 -0.98 -1.71 103.07 101.85 1o18 h GLY 90 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1o18 h GLY 90 CO 0.06 0.05 0.00 1.41 0.00 0.00 0.00 176.54 178.06 1o18 h LEU 91 N -0.10 0.00 -0.38 3.11 3.38 -1.37 -2.35 115.31 117.60 1o18 h LEU 91 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1o18 h LEU 91 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1o18 h LEU 91 CO -0.00 0.00 -0.26 -0.09 0.09 0.00 0.00 178.44 178.18 1o18 h ARG 92 N 0.00 0.00 -0.00 1.13 9.65 -0.70 -1.94 114.38 122.51 1o18 h ARG 92 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1o18 h ARG 92 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1o18 h ARG 92 CO 0.00 0.26 -0.25 0.28 2.80 0.00 0.00 179.97 183.06 1o18 n VAL 93 N -3.22 0.00 0.66 0.20 0.31 -0.68 -3.76 118.33 111.84 1o18 n VAL 93 Ca 0.02 -0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.38 1o18 n VAL 93 Cb 0.57 0.20 0.11 0.00 -0.91 0.00 0.00 33.84 33.81 1o18 n VAL 93 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1o18 n PHE 94 N -0.91 0.31 -3.82 3.52 -0.00 -0.74 -4.85 117.46 110.97 1o18 n PHE 94 Ca 0.11 0.09 -0.12 0.00 -0.00 0.00 0.00 57.45 57.53 1o18 n PHE 94 Cb 0.33 -0.46 -0.13 0.00 -0.00 0.00 0.00 39.48 39.21 1o18 n PHE 94 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 1o18 s ASP 95 N -3.83 -0.14 1.25 -2.13 -4.77 -1.21 -5.03 116.67 100.82 1o18 s ASP 95 Ca 0.06 0.28 -0.17 0.00 -3.30 0.00 0.00 52.55 49.42 1o18 s ASP 95 Cb 0.15 0.27 0.31 0.00 -1.09 0.00 0.00 42.92 42.56 1o18 s ASP 95 CO 0.76 -0.05 1.00 -1.59 0.70 0.00 0.00 175.17 175.98 1o18 s LYS 96 N 0.16 -1.59 0.42 2.11 0.00 -1.26 -4.89 119.74 114.68 1o18 s LYS 96 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 55.97 56.45 1o18 s LYS 96 Cb -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 37.83 36.31 1o18 s LYS 96 CO -0.00 -4.08 0.00 0.39 0.00 0.00 0.00 175.35 171.66 1o18 n GLU 97 N -5.12 -2.35 -2.15 1.78 1.02 -1.26 -4.61 120.64 107.95 1o18 n GLU 97 Ca 0.07 1.89 -0.41 0.00 -0.02 0.00 0.00 57.16 58.69 1o18 n GLU 97 Cb 0.57 -2.76 -0.00 0.00 -0.02 0.00 0.00 31.44 29.23 1o18 n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o18 n GLY 98 N -3.70 5.17 3.64 0.62 0.00 -1.26 -4.82 105.19 104.84 1o18 n GLY 98 Ca -0.06 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 1o18 n GLY 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o18 s ASN 99 N 0.28 -0.72 -1.30 1.61 3.84 -1.26 -5.10 114.94 112.28 1o18 s ASN 99 Ca 0.49 1.28 -0.17 0.00 0.21 0.00 0.00 52.86 54.66 1o18 s ASN 99 Cb 0.16 1.30 0.08 0.00 -0.55 0.00 0.00 41.25 42.24 1o18 s ASN 99 CO -0.07 -0.21 1.75 0.61 -2.79 0.00 0.00 177.10 176.40 1o18 n GLY 100 N 3.26 2.88 2.80 1.21 0.00 -1.26 -4.91 105.19 109.17 1o18 n GLY 100 Ca -0.16 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 1o18 n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o18 s THR 101 N 3.76 0.53 -0.01 2.61 -4.23 -1.25 -1.06 115.64 115.99 1o18 s THR 101 Ca 0.52 -0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.82 1o18 s THR 101 Cb 0.04 -0.69 -0.06 0.00 1.34 0.00 0.00 72.50 73.14 1o18 s THR 101 CO 0.05 0.24 0.51 -0.69 -0.54 0.00 0.00 174.62 174.19 1o18 s VAL 102 N 1.91 4.96 0.24 2.29 1.01 -0.29 -4.82 120.40 125.70 1o18 s VAL 102 Ca 0.04 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1o18 s VAL 102 Cb -0.13 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1o18 s VAL 102 CO -0.06 0.48 1.39 -0.04 0.00 0.00 0.00 175.10 176.86 1o18 s MET 103 N -0.49 4.31 0.09 2.72 -1.94 -1.26 -0.39 119.30 122.35 1o18 s MET 103 Ca 0.27 2.22 -0.18 0.00 -1.71 0.00 0.00 55.69 56.29 1o18 s MET 103 Cb -0.17 -3.13 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 1o18 s MET 103 CO 0.15 -0.35 1.11 0.41 -0.01 0.00 0.00 175.02 176.33 1o18 n GLY 104 N 2.11 -2.18 0.14 -0.03 0.00 -0.22 -0.97 105.19 104.04 1o18 n GLY 104 Ca 0.06 0.82 0.12 0.00 0.00 0.00 0.00 46.02 47.02 1o18 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o18 n ALA 105 N -3.24 1.59 -0.02 4.61 0.00 -1.26 -1.99 120.51 120.19 1o18 n ALA 105 Ca 0.01 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1o18 n ALA 105 Cb 0.15 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 1o18 n ALA 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1o18 h GLU 106 N 0.00 0.75 0.01 0.00 5.08 -1.43 -1.35 114.58 117.63 1o18 h GLU 106 Ca 0.00 -0.61 -0.21 0.00 -1.00 0.00 0.00 59.36 57.54 1o18 h GLU 106 Cb 0.33 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1o18 h GLU 106 CO 0.00 1.22 -1.01 1.25 -1.00 0.00 0.00 179.01 179.47 1o18 h LEU 107 N 0.46 0.03 -0.32 1.33 6.46 -1.37 -1.77 115.31 120.13 1o18 h LEU 107 Ca -0.05 -0.03 -0.19 0.00 -0.12 0.00 0.00 57.88 57.49 1o18 h LEU 107 Cb 1.36 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1o18 h LEU 107 CO 0.15 1.01 -0.63 0.03 -0.62 0.00 0.00 178.44 178.38 1o18 h ARG 108 N 0.01 0.74 0.00 1.25 3.08 -1.34 -0.61 114.38 117.51 1o18 h ARG 108 Ca -0.02 -0.52 -0.18 0.00 0.07 0.00 0.00 59.98 59.34 1o18 h ARG 108 Cb 1.77 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.87 1o18 h ARG 108 CO 0.13 1.14 -0.84 0.45 -1.07 0.00 0.00 179.97 179.79 1o18 h HIS 109 N 0.55 0.00 -0.02 3.04 3.86 -1.17 -2.31 115.15 119.10 1o18 h HIS 109 Ca -0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 1o18 h HIS 109 Cb 1.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 1o18 h HIS 109 CO 0.07 0.84 -0.77 0.28 0.86 0.00 0.00 177.93 179.20 1o18 h VAL 110 N 0.00 1.46 0.00 2.45 2.07 -1.13 -0.97 116.25 120.12 1o18 h VAL 110 Ca -0.01 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.10 1o18 h VAL 110 Cb 1.59 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 1o18 h VAL 110 CO 0.11 0.70 -0.17 0.25 0.02 0.00 0.00 177.57 178.48 1o18 h LEU 111 N 0.13 0.00 0.04 2.57 5.85 -0.94 -0.69 115.31 122.26 1o18 h LEU 111 Ca -0.03 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.38 1o18 h LEU 111 Cb 1.35 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1o18 h LEU 111 CO 0.12 0.17 -1.81 0.00 -0.34 0.00 0.00 178.44 176.58 1o18 n ALA 112 N -2.14 1.30 0.29 1.25 0.00 -0.88 -2.39 120.51 117.94 1o18 n ALA 112 Ca 0.03 -0.72 0.03 0.00 0.00 0.00 0.00 53.44 52.79 1o18 n ALA 112 Cb 0.59 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 1o18 n ALA 112 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1o18 n THR 113 N -3.18 0.00 -3.65 0.00 -2.24 -0.39 -3.53 114.28 101.30 1o18 n THR 113 Ca -0.22 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.77 1o18 n THR 113 Cb 1.05 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 70.23 1o18 n THR 113 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1o18 s LEU 114 N -1.75 5.14 0.00 3.22 1.43 -0.27 -4.95 118.68 121.50 1o18 s LEU 114 Ca 0.04 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 1o18 s LEU 114 Cb 0.05 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1o18 s LEU 114 CO 0.20 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1o18 n GLY 115 N 4.84 1.33 3.58 -3.19 0.00 -1.26 -4.80 105.19 105.70 1o18 n GLY 115 Ca -0.09 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1o18 n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o18 s GLU 116 N 0.00 3.63 -0.15 1.61 2.02 -1.26 -4.95 118.70 119.60 1o18 s GLU 116 Ca 0.00 0.38 -0.29 0.00 0.02 0.00 0.00 54.97 55.08 1o18 s GLU 116 Cb 0.00 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.24 1o18 s GLU 116 CO 0.00 -1.36 2.10 0.15 0.02 0.00 0.00 175.26 176.17 1o18 s LYS 117 N 4.25 3.48 -0.10 1.61 -0.14 -1.26 -4.88 119.74 122.69 1o18 s LYS 117 Ca 0.43 2.16 -0.12 0.00 -1.36 0.00 0.00 55.97 57.08 1o18 s LYS 117 Cb -0.08 -4.29 -0.05 0.00 -1.68 0.00 0.00 37.83 31.73 1o18 s LYS 117 CO 0.29 -1.71 0.29 -1.64 -0.76 0.00 0.00 175.35 171.82 1o18 s MET 118 N 5.67 3.96 0.75 1.68 -1.94 -1.00 -5.02 119.30 123.39 1o18 s MET 118 Ca 0.95 0.14 -0.14 0.00 -1.71 0.00 0.00 55.69 54.92 1o18 s MET 118 Cb -0.35 -3.31 0.05 0.00 2.01 0.00 0.00 34.83 33.23 1o18 s MET 118 CO 0.37 0.51 1.19 0.95 -0.01 0.00 0.00 175.02 178.02 1o18 s THR 119 N -0.36 2.38 -0.31 2.05 -4.23 -1.26 -4.02 115.64 109.89 1o18 s THR 119 Ca 0.18 0.18 0.27 0.00 -1.18 0.00 0.00 61.69 61.14 1o18 s THR 119 Cb -0.14 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.34 1o18 s THR 119 CO 0.07 -0.11 1.80 -0.08 -0.54 0.00 0.00 174.62 175.76 1o18 h GLU 120 N -0.49 0.00 -0.26 3.99 4.57 -1.95 -0.89 114.58 119.55 1o18 h GLU 120 Ca -0.47 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.63 1o18 h GLU 120 Cb 1.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1o18 h GLU 120 CO 0.49 0.00 -0.15 1.49 -1.18 0.00 0.00 179.01 179.66 1o18 h GLU 121 N 0.00 0.57 -0.00 1.92 4.81 -2.00 -1.00 114.58 118.88 1o18 h GLU 121 Ca 0.00 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1o18 h GLU 121 Cb 0.59 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1o18 h GLU 121 CO 0.00 0.83 -0.52 0.93 -0.73 0.00 0.00 179.01 179.52 1o18 h GLU 122 N 0.29 0.01 -0.26 1.92 5.08 -1.69 -2.00 114.58 117.93 1o18 h GLU 122 Ca 0.05 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1o18 h GLU 122 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1o18 h GLU 122 CO 0.04 0.53 -0.37 0.28 -1.00 0.00 0.00 179.01 178.49 1o18 h VAL 123 N 0.01 1.29 0.00 3.13 2.07 -0.96 -1.57 116.25 120.21 1o18 h VAL 123 Ca -0.00 -1.52 -0.13 0.00 0.82 0.00 0.00 66.70 65.87 1o18 h VAL 123 Cb 0.93 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1o18 h VAL 123 CO 0.07 0.48 -0.60 -0.33 0.02 0.00 0.00 177.57 177.21 1o18 h GLU 124 N 0.48 0.00 0.00 1.57 5.08 -0.81 -1.85 114.58 119.06 1o18 h GLU 124 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1o18 h GLU 124 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1o18 h GLU 124 CO 0.07 0.60 0.00 0.93 -1.00 0.00 0.00 179.01 179.62 1o18 h GLU 125 N 0.00 0.00 -0.00 2.33 5.08 -0.81 -1.70 114.58 119.48 1o18 h GLU 125 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1o18 h GLU 125 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1o18 h GLU 125 CO 0.08 0.00 -0.80 1.28 -1.00 0.00 0.00 179.01 178.57 1o18 n LEU 126 N -2.53 0.84 -0.00 1.33 4.77 -0.64 -4.17 117.00 116.60 1o18 n LEU 126 Ca 0.04 -0.32 0.06 0.00 -0.03 0.00 0.00 56.01 55.77 1o18 n LEU 126 Cb 0.42 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1o18 n LEU 126 CO 0.30 0.21 -0.30 0.23 -1.33 0.00 0.00 177.39 176.49 1o18 n MET 127 N -1.46 1.71 -1.79 3.23 2.81 -0.93 -4.88 117.12 115.80 1o18 n MET 127 Ca 0.05 -0.05 -0.38 0.00 -1.81 0.00 0.00 57.70 55.50 1o18 n MET 127 Cb 0.33 -1.20 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 1o18 n MET 127 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1o18 s LYS 128 N -2.53 2.50 0.00 0.03 2.20 -0.67 -2.03 119.74 119.23 1o18 s LYS 128 Ca 0.01 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1o18 s LYS 128 Cb 0.09 -4.46 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 1o18 s LYS 128 CO 0.54 -2.85 0.00 0.41 -0.36 0.00 0.00 175.35 173.10 1o18 n GLY 129 N 5.81 1.31 0.09 5.54 0.00 -1.26 -4.90 105.19 111.78 1o18 n GLY 129 Ca 0.29 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1o18 n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1o18 n GLN 130 N 0.00 0.63 -3.68 1.61 3.00 -0.94 -4.75 117.38 113.25 1o18 n GLN 130 Ca 0.00 0.11 -0.37 0.00 -0.01 0.00 0.00 57.00 56.73 1o18 n GLN 130 Cb 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 30.24 28.38 1o18 n GLN 130 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1o18 s GLU 131 N -3.10 3.73 0.13 -1.09 2.12 -0.86 -4.25 118.70 115.38 1o18 s GLU 131 Ca -0.04 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 1o18 s GLU 131 Cb 0.10 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1o18 s GLU 131 CO 0.82 -0.21 0.17 -0.40 -0.54 0.00 0.00 175.26 175.10 1o18 n ASP 132 N 4.98 0.18 0.00 -1.70 5.68 -1.26 -4.91 116.55 119.52 1o18 n ASP 132 Ca -0.15 -1.17 0.10 0.00 -0.50 0.00 0.00 54.79 53.07 1o18 n ASP 132 Cb 0.51 -0.12 0.60 0.00 -1.14 0.00 0.00 41.12 40.98 1o18 n ASP 132 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1o18 n SER 133 N -3.01 0.00 0.09 -1.12 3.41 -1.26 -2.52 113.62 109.21 1o18 n SER 133 Ca 0.03 -0.80 0.13 0.00 -0.26 0.00 0.00 58.87 57.96 1o18 n SER 133 Cb 0.10 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.50 1o18 n SER 133 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1o18 n ASN 134 N -0.94 0.62 -0.12 4.04 6.94 -1.26 -4.93 115.26 119.61 1o18 n ASN 134 Ca 0.15 0.58 -0.01 0.00 -0.02 0.00 0.00 54.58 55.28 1o18 n ASN 134 Cb 0.07 -0.74 -0.00 0.00 -2.36 0.00 0.00 39.78 36.75 1o18 n ASN 134 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1o18 n GLY 135 N 1.00 0.45 2.91 4.83 0.00 -1.05 -5.01 105.19 108.32 1o18 n GLY 135 Ca 0.05 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1o18 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o18 s ILE 137 N 1.59 4.82 -0.56 0.00 1.01 0.48 -4.39 121.20 124.15 1o18 s ILE 137 Ca 0.01 0.73 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 1o18 s ILE 137 Cb -0.15 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1o18 s ILE 137 CO -0.08 -0.37 1.19 0.21 0.00 0.00 0.00 174.94 175.89 1o18 s ASN 138 N 1.81 6.48 0.00 3.58 3.84 -1.25 -1.13 114.94 128.26 1o18 s ASN 138 Ca 0.28 0.20 0.31 0.00 0.21 0.00 0.00 52.86 53.86 1o18 s ASN 138 Cb -0.14 -2.55 1.73 0.00 -0.55 0.00 0.00 41.25 39.73 1o18 s ASN 138 CO 0.16 -1.44 2.13 0.00 -2.79 0.00 0.00 177.10 175.16 1o18 n TYR 139 N 8.35 0.00 -0.01 0.43 4.11 -0.22 -1.11 117.16 128.71 1o18 n TYR 139 Ca 0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.83 1o18 n TYR 139 Cb 0.49 -0.04 -0.10 0.00 -0.00 0.00 0.00 39.34 39.69 1o18 n TYR 139 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1o18 h GLU 140 N 0.31 0.47 0.00 -3.48 5.08 -1.90 -0.92 114.58 114.14 1o18 h GLU 140 Ca 0.00 -0.45 -0.14 0.00 -1.00 0.00 0.00 59.36 57.77 1o18 h GLU 140 Cb 0.11 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1o18 h GLU 140 CO 0.00 1.09 -0.95 0.00 -1.00 0.00 0.00 179.01 178.15 1o18 h ALA 141 N 0.39 0.64 -0.36 3.43 0.00 -1.87 -2.83 119.26 118.65 1o18 h ALA 141 Ca -0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 1o18 h ALA 141 Cb 1.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1o18 h ALA 141 CO 0.12 0.79 -0.18 0.35 0.00 0.00 0.00 179.25 180.33 1o18 h PHE 142 N 0.00 0.88 0.00 0.00 3.57 -1.10 -0.56 116.94 119.74 1o18 h PHE 142 Ca -0.08 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.14 1o18 h PHE 142 Cb 1.50 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1o18 h PHE 142 CO 0.00 0.96 -0.29 0.28 -2.23 0.00 0.00 178.31 177.03 1o18 h VAL 143 N 0.56 0.51 -0.41 1.41 2.07 -1.23 -1.28 116.25 117.88 1o18 h VAL 143 Ca 0.08 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 1o18 h VAL 143 Cb 0.73 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1o18 h VAL 143 CO 0.05 0.28 -0.05 0.50 0.02 0.00 0.00 177.57 178.38 1o18 h LYS 144 N 0.00 0.75 0.00 1.57 3.64 -1.22 -1.13 116.57 120.18 1o18 h LYS 144 Ca -0.00 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1o18 h LYS 144 Cb 1.18 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1o18 h LYS 144 CO 0.04 0.86 -0.35 0.45 -2.27 0.00 0.00 179.45 178.18 1o18 h HIS 145 N 0.57 0.00 0.00 1.91 3.86 -0.74 -2.30 115.15 118.46 1o18 h HIS 145 Ca 0.11 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.19 1o18 h HIS 145 Cb 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1o18 h HIS 145 CO 0.04 0.35 -0.61 0.82 0.86 0.00 0.00 177.93 179.39 1o18 h ILE 146 N 0.00 1.23 -0.50 2.45 1.08 -0.89 -2.27 117.51 118.62 1o18 h ILE 146 Ca -0.00 -2.26 0.00 0.00 -0.39 0.00 0.00 64.86 62.20 1o18 h ILE 146 Cb 1.15 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1o18 h ILE 146 CO 0.05 0.60 0.00 0.23 -0.69 0.00 0.00 178.15 178.34 1o18 n MET 147 N -3.51 2.21 0.07 2.37 2.81 -0.46 -3.56 117.12 117.05 1o18 n MET 147 Ca -0.00 -1.81 0.12 0.00 -1.81 0.00 0.00 57.70 54.20 1o18 n MET 147 Cb 0.68 -1.41 0.11 0.00 -0.71 0.00 0.00 33.22 31.89 1o18 n MET 147 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1o18 h SER 148 N 2.90 0.00 -0.03 7.83 0.02 -0.87 -3.50 113.55 119.91 1o18 h SER 148 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1o18 h SER 148 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1o18 h SER 148 CO 0.01 0.09 0.00 0.55 -1.14 0.00 0.00 176.83 176.34