#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v54 s SER 2 N 0.00 -0.04 0.00 0.00 1.04 -1.26 -5.18 113.70 108.26 1v54 s SER 2 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1v54 s SER 2 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1v54 s SER 2 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1v54 n GLY 3 N -0.23 -1.00 0.00 7.32 0.00 -1.26 -5.19 105.19 104.82 1v54 n GLY 3 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1v54 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 4 N 0.00 4.96 0.61 -0.02 0.00 -1.26 -4.99 105.19 104.49 1v54 n GLY 4 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1v54 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v54 n GLY 5 N 3.73 0.60 3.51 -0.02 0.00 -1.26 -5.06 105.19 106.69 1v54 n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1v54 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v54 s VAL 6 N -2.38 4.65 0.77 1.61 1.01 -1.26 -5.09 120.40 119.72 1v54 s VAL 6 Ca 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1v54 s VAL 6 Cb 0.00 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.26 1v54 s VAL 6 CO 0.00 0.32 1.20 -2.16 0.00 0.00 0.00 175.10 174.46 1v54 s PRO 7 N 1.55 1.87 0.38 2.72 0.04 -1.26 -5.04 135.00 135.25 1v54 s PRO 7 Ca 0.06 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1v54 s PRO 7 Cb -0.15 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1v54 s PRO 7 CO 0.06 -2.03 0.43 0.95 0.04 0.00 0.00 177.00 176.44 1v54 s THR 8 N -2.13 3.32 0.25 1.26 -4.23 -1.26 -4.97 115.64 107.88 1v54 s THR 8 Ca 0.73 -1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 1v54 s THR 8 Cb -0.28 -3.15 0.14 0.00 1.34 0.00 0.00 72.50 70.55 1v54 s THR 8 CO 0.49 -0.08 1.78 0.44 -0.54 0.00 0.00 174.62 176.70 1v54 h ASP 9 N 0.94 0.86 -0.67 3.99 3.32 -1.96 0.06 116.42 122.96 1v54 h ASP 9 Ca -0.43 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.46 1v54 h ASP 9 Cb 1.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1v54 h ASP 9 CO 0.53 0.85 0.44 -0.08 -1.72 0.00 0.00 179.24 179.26 1v54 h GLU 10 N 0.87 0.87 0.02 3.56 4.57 -1.95 0.42 114.58 122.94 1v54 h GLU 10 Ca 0.18 -0.05 -0.27 0.00 -1.18 0.00 0.00 59.36 58.04 1v54 h GLU 10 Cb 0.35 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1v54 h GLU 10 CO 0.00 0.58 -1.47 0.93 -1.18 0.00 0.00 179.01 177.87 1v54 h GLU 11 N 0.90 0.04 0.00 1.92 5.08 -1.84 -3.42 114.58 117.27 1v54 h GLU 11 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1v54 h GLU 11 Cb -0.09 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1v54 h GLU 11 CO -0.05 0.77 -0.49 0.94 -1.00 0.00 0.00 179.01 179.17 1v54 n GLN 12 N -3.21 3.71 -1.75 2.33 7.27 -0.04 -4.97 117.38 120.72 1v54 n GLN 12 Ca -0.12 -0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.55 1v54 n GLN 12 Cb 1.02 -0.76 0.03 0.00 2.41 0.00 0.00 30.24 32.93 1v54 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v54 n ALA 13 N -1.25 1.85 -4.10 1.69 0.00 0.15 -5.00 120.51 113.85 1v54 n ALA 13 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 1v54 n ALA 13 Cb 0.02 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.03 1v54 n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1v54 n THR 14 N -0.45 0.00 -2.16 0.00 5.66 -1.26 -4.67 114.28 111.41 1v54 n THR 14 Ca 0.07 -2.06 0.00 0.00 -3.05 0.00 0.00 64.05 59.01 1v54 n THR 14 Cb 0.42 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 1v54 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1v54 n GLY 15 N -0.52 1.96 0.28 1.09 0.00 -1.26 -1.24 105.19 105.51 1v54 n GLY 15 Ca 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 1v54 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1v54 h LEU 16 N 0.00 0.56 -0.53 0.99 5.85 -1.99 -2.40 115.31 117.79 1v54 h LEU 16 Ca 0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1v54 h LEU 16 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1v54 h LEU 16 CO 0.00 0.61 0.28 -0.08 -0.34 0.00 0.00 178.44 178.91 1v54 h GLU 17 N 0.58 0.53 -0.42 1.25 4.81 -1.88 -0.98 114.58 118.47 1v54 h GLU 17 Ca 0.12 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1v54 h GLU 17 Cb 0.32 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1v54 h GLU 17 CO 0.01 0.35 0.11 -0.09 -0.73 0.00 0.00 179.01 178.66 1v54 h ARG 18 N 0.54 0.66 -0.39 1.92 2.43 -0.69 -2.10 114.38 116.75 1v54 h ARG 18 Ca 0.23 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1v54 h ARG 18 Cb 0.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1v54 h ARG 18 CO -0.15 0.67 0.19 0.93 -1.51 0.00 0.00 179.97 180.09 1v54 h GLU 19 N 0.53 0.37 -0.69 0.20 5.08 -1.02 0.14 114.58 119.20 1v54 h GLU 19 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1v54 h GLU 19 Cb 0.30 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1v54 h GLU 19 CO -0.00 0.25 0.43 0.28 -1.00 0.00 0.00 179.01 178.97 1v54 h VAL 20 N 0.38 1.19 -0.03 3.13 2.07 -1.13 -0.07 116.25 121.80 1v54 h VAL 20 Ca 0.17 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1v54 h VAL 20 Cb 0.08 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1v54 h VAL 20 CO -0.12 0.19 0.02 -0.03 0.02 0.00 0.00 177.57 177.64 1v54 h MET 21 N 0.93 0.04 -0.28 1.57 1.85 -0.72 -0.79 114.93 117.53 1v54 h MET 21 Ca 0.25 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.31 1v54 h MET 21 Cb -0.07 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 1v54 h MET 21 CO -0.05 0.10 0.07 -0.07 -0.40 0.00 0.00 176.91 176.56 1v54 h LEU 22 N -0.03 0.43 -0.60 3.39 3.38 -0.56 -2.55 115.31 118.77 1v54 h LEU 22 Ca 0.01 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1v54 h LEU 22 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1v54 h LEU 22 CO -0.00 0.55 0.38 0.00 0.09 0.00 0.00 178.44 179.47 1v54 h ALA 23 N 0.89 0.77 -0.59 1.53 0.00 -0.93 -2.14 119.26 118.79 1v54 h ALA 23 Ca 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1v54 h ALA 23 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1v54 h ALA 23 CO 0.00 0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.79 1v54 h ALA 24 N 1.24 1.62 -0.58 0.00 0.00 -1.05 0.57 119.26 121.06 1v54 h ALA 24 Ca 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1v54 h ALA 24 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1v54 h ALA 24 CO -0.07 0.34 0.18 -0.09 0.00 0.00 0.00 179.25 179.60 1v54 h ARG 25 N 0.76 0.87 -0.12 0.00 2.43 -0.96 -1.44 114.38 115.91 1v54 h ARG 25 Ca 0.22 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1v54 h ARG 25 Cb -0.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1v54 h ARG 25 CO -0.05 0.75 0.00 1.63 -1.51 0.00 0.00 179.97 180.78 1v54 n LYS 26 N -4.29 1.49 -1.62 0.20 5.02 -0.62 -4.91 118.16 113.44 1v54 n LYS 26 Ca 0.05 -0.74 -0.08 0.00 -2.02 0.00 0.00 58.31 55.51 1v54 n LYS 26 Cb 0.20 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1v54 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v54 n GLY 27 N 1.00 0.61 3.82 0.72 0.00 -0.54 -5.03 105.19 105.76 1v54 n GLY 27 Ca 0.15 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1v54 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v54 s GLN 28 N -3.41 2.92 -0.44 1.61 -0.21 0.10 -4.98 119.66 115.24 1v54 s GLN 28 Ca 0.00 -1.03 0.09 0.00 0.02 0.00 0.00 55.36 54.44 1v54 s GLN 28 Cb 0.00 -2.57 0.31 0.00 1.00 0.00 0.00 33.01 31.75 1v54 s GLN 28 CO 0.00 0.41 0.71 -3.47 -2.12 0.00 0.00 175.29 170.82 1v54 n ASP 29 N -1.07 1.56 0.26 5.90 2.03 -1.26 -3.61 116.55 120.36 1v54 n ASP 29 Ca -0.08 -3.07 0.13 0.00 0.52 0.00 0.00 54.79 52.28 1v54 n ASP 29 Cb 0.57 -0.62 0.71 0.00 -0.72 0.00 0.00 41.12 41.06 1v54 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1v54 h PRO 30 N 3.42 0.00 -0.62 -0.67 0.13 -1.97 -2.94 132.00 129.36 1v54 h PRO 30 Ca 0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.06 1v54 h PRO 30 Cb 0.83 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.86 1v54 h PRO 30 CO 0.58 0.12 0.19 0.66 -0.23 0.00 0.00 178.00 179.32 1v54 n TYR 31 N -3.62 2.07 -4.06 1.56 4.02 -1.26 -4.97 117.16 110.91 1v54 n TYR 31 Ca -0.02 -1.19 -0.29 0.00 -0.01 0.00 0.00 57.90 56.40 1v54 n TYR 31 Cb 0.25 -0.61 -0.03 0.00 -0.02 0.00 0.00 39.34 38.93 1v54 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1v54 n ASN 32 N -0.31 -0.91 0.09 7.72 3.02 -1.11 -4.88 115.26 118.89 1v54 n ASN 32 Ca 0.37 -1.04 -0.02 0.00 -0.03 0.00 0.00 54.58 53.87 1v54 n ASN 32 Cb 1.27 -2.83 -0.04 0.00 -0.61 0.00 0.00 39.78 37.57 1v54 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1v54 h ILE 33 N -1.75 1.14 -2.69 2.41 2.04 -1.94 -3.46 117.51 113.26 1v54 h ILE 33 Ca -0.62 -2.66 -0.57 0.00 1.00 0.00 0.00 64.86 62.00 1v54 h ILE 33 Cb 1.38 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 39.94 1v54 h ILE 33 CO 0.67 0.65 -0.57 -0.76 0.00 0.00 0.00 178.15 178.15 1v54 s LEU 34 N -6.48 3.78 -0.14 1.44 1.43 -1.26 -5.09 118.68 112.37 1v54 s LEU 34 Ca 0.02 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.75 1v54 s LEU 34 Cb 0.09 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1v54 s LEU 34 CO 0.78 0.07 0.69 0.00 0.23 0.00 0.00 176.35 178.12 1v54 s ALA 35 N -1.77 3.46 0.36 4.21 0.00 -1.26 -5.03 121.76 121.74 1v54 s ALA 35 Ca 0.31 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 1v54 s ALA 35 Cb -0.10 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 1v54 s ALA 35 CO 0.23 -0.39 1.26 -1.25 0.00 0.00 0.00 175.76 175.61 1v54 s PRO 36 N 1.50 4.22 0.05 0.00 0.04 -1.26 -5.01 135.00 134.54 1v54 s PRO 36 Ca 0.34 2.09 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 1v54 s PRO 36 Cb -0.17 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1v54 s PRO 36 CO 0.13 -0.26 0.70 0.15 0.04 0.00 0.00 177.00 177.76 1v54 s LYS 37 N -1.98 4.42 0.44 4.56 3.01 -1.26 -5.05 119.74 123.89 1v54 s LYS 37 Ca 0.52 0.95 -0.23 0.00 -1.01 0.00 0.00 55.97 56.20 1v54 s LYS 37 Cb -0.37 -3.33 -0.08 0.00 -1.01 0.00 0.00 37.83 33.04 1v54 s LYS 37 CO 0.48 0.39 1.08 0.00 0.51 0.00 0.00 175.35 177.80 1v54 s ALA 38 N -0.36 2.99 0.57 5.17 0.00 -1.26 -5.01 121.76 123.86 1v54 s ALA 38 Ca 0.35 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1v54 s ALA 38 Cb -0.20 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1v54 s ALA 38 CO 0.21 -0.38 0.00 0.25 0.00 0.00 0.00 175.76 175.84 1v54 n THR 39 N -0.45 0.00 0.54 0.00 -2.24 -1.26 -4.95 114.28 105.91 1v54 n THR 39 Ca 0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 1v54 n THR 39 Cb 0.50 -1.57 0.45 0.00 -2.10 0.00 0.00 70.33 67.61 1v54 n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1v54 n SER 40 N -1.32 0.72 -1.04 3.42 3.41 -1.25 -4.91 113.62 112.64 1v54 n SER 40 Ca 0.00 0.61 -0.13 0.00 -0.26 0.00 0.00 58.87 59.09 1v54 n SER 40 Cb 0.00 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.10 1v54 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v54 n GLY 41 N 0.73 1.36 3.93 5.00 0.00 -0.72 -4.94 105.19 110.56 1v54 n GLY 41 Ca 0.04 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1v54 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v54 s THR 42 N -2.50 2.12 0.27 2.61 -4.23 -1.13 -0.66 115.64 112.13 1v54 s THR 42 Ca 0.00 -0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1v54 s THR 42 Cb 0.00 -2.95 0.27 0.00 1.34 0.00 0.00 72.50 71.16 1v54 s THR 42 CO 0.00 0.00 1.83 0.50 -0.54 0.00 0.00 174.62 176.41 1v54 h LYS 43 N -0.97 0.94 0.00 3.99 3.64 -1.96 -2.02 116.57 120.20 1v54 h LYS 43 Ca -0.44 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 58.68 1v54 h LYS 43 Cb 1.29 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1v54 h LYS 43 CO 0.54 0.62 -0.98 0.93 -2.27 0.00 0.00 179.45 178.29 1v54 h GLU 44 N 0.97 0.00 -2.16 1.90 3.07 -2.02 -3.38 114.58 112.96 1v54 h GLU 44 Ca 0.47 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.76 1v54 h GLU 44 Cb 0.44 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.94 1v54 h GLU 44 CO -0.26 0.98 -0.80 -3.47 -1.40 0.00 0.00 179.01 174.06 1v54 n ASP 45 N -3.35 2.88 -4.78 1.42 4.64 -0.85 -5.11 116.55 111.40 1v54 n ASP 45 Ca 0.00 -3.32 -0.32 0.00 -1.38 0.00 0.00 54.79 49.77 1v54 n ASP 45 Cb 0.93 -0.62 0.06 0.00 -1.04 0.00 0.00 41.12 40.45 1v54 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1v54 s PRO 46 N -2.56 2.65 -0.02 -0.67 0.04 -0.82 -1.75 135.00 131.88 1v54 s PRO 46 Ca 0.42 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1v54 s PRO 46 Cb 0.23 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1v54 s PRO 46 CO -0.08 -1.35 1.28 -0.80 0.04 0.00 0.00 177.00 176.09 1v54 s ASN 47 N -3.08 6.97 -0.33 6.66 0.01 -0.00 -4.79 114.94 120.38 1v54 s ASN 47 Ca 0.63 1.96 -0.22 0.00 -0.71 0.00 0.00 52.86 54.53 1v54 s ASN 47 Cb -0.18 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 1v54 s ASN 47 CO 0.49 -0.62 0.70 -0.76 -1.51 0.00 0.00 177.10 175.39 1v54 s LEU 48 N 2.11 4.16 -0.43 0.60 2.01 -1.26 -0.93 118.68 124.94 1v54 s LEU 48 Ca 0.59 0.39 -0.13 0.00 0.01 0.00 0.00 54.13 54.99 1v54 s LEU 48 Cb -0.28 -2.90 0.05 0.00 0.01 0.00 0.00 46.19 43.07 1v54 s LEU 48 CO 0.25 -0.59 0.31 -0.69 1.01 0.00 0.00 176.35 176.64 1v54 s VAL 49 N 2.81 4.92 0.50 -1.59 1.01 0.18 -4.95 120.40 123.27 1v54 s VAL 49 Ca 0.28 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 1v54 s VAL 49 Cb -0.14 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1v54 s VAL 49 CO 0.14 -0.44 1.17 -2.84 0.00 0.00 0.00 175.10 173.12 1v54 s PRO 50 N 1.59 3.53 -0.01 2.72 0.02 -1.26 -0.89 135.00 140.71 1v54 s PRO 50 Ca 0.04 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 62.57 1v54 s PRO 50 Cb -0.22 -2.24 0.05 0.00 0.02 0.00 0.00 34.50 32.12 1v54 s PRO 50 CO 0.06 -0.73 0.54 0.45 -0.33 0.00 0.00 177.00 177.00 1v54 s SER 51 N -1.48 -0.48 0.00 2.53 0.15 -1.14 -4.86 113.70 108.41 1v54 s SER 51 Ca 0.68 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.96 1v54 s SER 51 Cb -0.28 0.47 0.35 0.00 -1.71 0.00 0.00 66.02 64.86 1v54 s SER 51 CO 0.33 -0.62 1.31 2.30 1.20 0.00 0.00 173.24 177.76 1v54 n ILE 52 N 0.81 0.00 -2.72 6.45 -5.35 -1.26 0.23 119.36 117.52 1v54 n ILE 52 Ca -0.19 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1v54 n ILE 52 Cb 0.58 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1v54 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1v54 n THR 53 N -1.33 0.00 0.45 7.28 -2.24 -1.26 -4.31 114.28 112.86 1v54 n THR 53 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1v54 n THR 53 Cb 0.34 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.82 1v54 n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1v54 n ASN 54 N 0.00 3.11 -3.53 3.42 6.94 -1.26 -4.46 115.26 119.47 1v54 n ASN 54 Ca 0.00 -1.94 -0.17 0.00 -0.02 0.00 0.00 54.58 52.45 1v54 n ASN 54 Cb 0.00 -0.25 -0.06 0.00 -2.36 0.00 0.00 39.78 37.11 1v54 n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1v54 s LYS 55 N -1.51 0.98 -0.12 -3.83 -2.85 -1.26 -0.52 119.74 110.64 1v54 s LYS 55 Ca 0.38 0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 55.45 1v54 s LYS 55 Cb 0.22 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.49 1v54 s LYS 55 CO 0.30 -0.30 0.40 0.50 0.10 0.00 0.00 175.35 176.35 1v54 s ARG 56 N -1.16 0.53 0.07 1.78 3.52 -0.32 -4.92 118.95 118.45 1v54 s ARG 56 Ca -0.09 0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.62 1v54 s ARG 56 Cb -0.00 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.59 1v54 s ARG 56 CO 0.09 -0.09 1.14 0.42 -0.81 0.00 0.00 175.30 176.05 1v54 s ILE 57 N -0.12 4.15 -0.07 4.11 1.01 -1.26 -0.04 121.20 128.98 1v54 s ILE 57 Ca -0.03 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.22 1v54 s ILE 57 Cb -0.03 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1v54 s ILE 57 CO 0.02 0.15 -0.08 -0.69 0.00 0.00 0.00 174.94 174.34 1v54 s VAL 58 N 0.84 3.64 -0.18 2.92 1.01 0.81 -4.92 120.40 124.53 1v54 s VAL 58 Ca 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1v54 s VAL 58 Cb -0.28 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1v54 s VAL 58 CO 0.30 0.59 -0.16 -0.83 0.00 0.00 0.00 175.10 175.00 1v54 s GLY 59 N -0.72 1.45 -0.25 4.51 0.00 -1.26 -1.33 107.32 109.73 1v54 s GLY 59 Ca 0.11 -1.15 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 1v54 s GLY 59 CO 0.02 0.22 0.02 0.00 0.00 0.00 0.00 173.10 173.35 1v54 s ILE 61 N 1.50 5.43 0.27 0.00 1.01 -1.26 -1.31 121.20 126.84 1v54 s ILE 61 Ca 0.04 -2.56 -0.05 0.00 0.00 0.00 0.00 60.65 58.09 1v54 s ILE 61 Cb -0.16 -4.65 0.33 0.00 0.01 0.00 0.00 42.46 38.00 1v54 s ILE 61 CO -0.00 -1.27 1.61 0.00 0.00 0.00 0.00 174.94 175.28 1v54 s GLU 63 N -6.09 0.97 0.29 0.00 2.02 -1.26 -5.05 118.70 109.57 1v54 s GLU 63 Ca -0.13 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 53.64 1v54 s GLU 63 Cb 0.24 -1.04 -0.12 0.00 0.10 0.00 0.00 34.13 33.31 1v54 s GLU 63 CO 0.76 0.25 1.53 -1.91 0.02 0.00 0.00 175.26 175.90 1v54 n GLU 64 N 1.53 2.49 -0.96 1.61 2.13 -1.26 -1.76 120.64 124.42 1v54 n GLU 64 Ca -0.19 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1v54 n GLU 64 Cb 0.54 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1v54 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1v54 n ASP 65 N 2.01 -1.25 -4.77 4.31 10.43 -1.26 -5.02 116.55 121.00 1v54 n ASP 65 Ca 0.09 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.04 1v54 n ASP 65 Cb 0.35 -0.21 -0.02 0.00 1.84 0.00 0.00 41.12 43.08 1v54 n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1v54 s ASN 66 N -2.57 6.80 0.11 -2.24 -0.87 -0.72 -4.91 114.94 110.54 1v54 s ASN 66 Ca 0.00 2.65 0.20 0.00 -1.57 0.00 0.00 52.86 54.14 1v54 s ASN 66 Cb 0.00 -2.64 -0.10 0.00 -0.02 0.00 0.00 41.25 38.49 1v54 s ASN 66 CO 0.00 -0.52 0.87 -1.54 -2.57 0.00 0.00 177.10 173.34 1v54 n SER 67 N 1.01 0.74 -4.69 -1.22 3.41 -1.26 -4.84 113.62 106.77 1v54 n SER 67 Ca 0.01 0.31 -0.40 0.00 -0.26 0.00 0.00 58.87 58.52 1v54 n SER 67 Cb 0.42 0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 1v54 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1v54 s THR 68 N -3.18 5.01 -0.15 6.66 2.01 -1.26 -5.05 115.64 119.68 1v54 s THR 68 Ca -0.03 1.39 -0.06 0.00 0.31 0.00 0.00 61.69 63.31 1v54 s THR 68 Cb 0.09 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1v54 s THR 68 CO 0.81 0.17 0.04 -0.69 -0.69 0.00 0.00 174.62 174.26 1v54 s VAL 69 N 1.39 4.63 -0.29 3.82 1.01 -1.26 -4.70 120.40 124.99 1v54 s VAL 69 Ca 0.35 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 1v54 s VAL 69 Cb -0.17 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1v54 s VAL 69 CO 0.14 0.52 0.44 -0.63 0.00 0.00 0.00 175.10 175.57 1v54 s ILE 70 N -0.08 5.11 -0.08 2.22 -1.09 -0.42 -4.86 121.20 122.00 1v54 s ILE 70 Ca 0.06 0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 1v54 s ILE 70 Cb -0.12 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1v54 s ILE 70 CO 0.01 0.04 -0.02 0.26 -1.23 0.00 0.00 174.94 174.01 1v54 s TRP 71 N 2.19 3.11 -0.07 3.97 0.52 -1.26 0.54 118.94 127.94 1v54 s TRP 71 Ca 0.17 0.15 -0.29 0.00 0.02 0.00 0.00 56.10 56.14 1v54 s TRP 71 Cb -0.16 -1.77 0.10 0.00 -1.15 0.00 0.00 33.47 30.49 1v54 s TRP 71 CO 0.11 0.43 0.86 -0.59 0.02 0.00 0.00 176.95 177.78 1v54 s PHE 72 N -0.85 -0.45 0.04 -1.98 -0.12 -0.44 -4.99 117.98 109.20 1v54 s PHE 72 Ca 0.13 0.63 -0.30 0.00 -0.05 0.00 0.00 56.93 57.34 1v54 s PHE 72 Cb -0.11 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1v54 s PHE 72 CO 0.02 -0.50 1.02 -1.58 -0.05 0.00 0.00 175.22 174.14 1v54 s TRP 73 N -1.82 3.64 -0.25 3.49 0.52 -1.26 -0.13 118.94 123.13 1v54 s TRP 73 Ca -0.02 1.64 -0.09 0.00 0.02 0.00 0.00 56.10 57.65 1v54 s TRP 73 Cb -0.01 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.11 1v54 s TRP 73 CO 0.00 -0.23 0.12 -1.17 0.02 0.00 0.00 176.95 175.68 1v54 s LEU 74 N 0.74 3.71 0.16 2.99 2.96 0.94 -4.92 118.68 125.26 1v54 s LEU 74 Ca 0.52 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1v54 s LEU 74 Cb -0.23 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1v54 s LEU 74 CO 0.29 -0.02 0.35 -1.00 -1.32 0.00 0.00 176.35 174.66 1v54 s HIS 75 N 1.54 3.49 0.32 5.38 3.76 -1.26 -1.17 115.29 127.35 1v54 s HIS 75 Ca 0.06 0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 55.05 1v54 s HIS 75 Cb -0.15 -1.87 -0.12 0.00 1.11 0.00 0.00 32.58 31.55 1v54 s HIS 75 CO 0.06 0.43 1.53 1.17 -0.85 0.00 0.00 174.74 177.08 1v54 n LYS 76 N -0.32 2.62 0.00 1.40 4.81 0.33 -4.47 118.16 122.53 1v54 n LYS 76 Ca -0.04 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1v54 n LYS 76 Cb 0.53 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1v54 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1v54 n GLY 77 N 1.49 0.27 3.77 3.14 0.00 -1.26 -5.05 105.19 107.55 1v54 n GLY 77 Ca 0.06 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1v54 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v54 s GLU 78 N -0.64 4.12 0.45 1.61 2.56 -1.26 -4.69 118.70 120.84 1v54 s GLU 78 Ca 0.00 2.56 -0.24 0.00 0.00 0.00 0.00 54.97 57.29 1v54 s GLU 78 Cb 0.00 -2.98 -0.09 0.00 2.00 0.00 0.00 34.13 33.06 1v54 s GLU 78 CO 0.00 -0.54 1.10 0.00 -0.56 0.00 0.00 175.26 175.26 1v54 n ALA 79 N 0.78 0.60 -2.61 6.30 0.00 -1.26 -4.93 120.51 119.39 1v54 n ALA 79 Ca 0.02 0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 1v54 n ALA 79 Cb 0.39 -2.16 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 1v54 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1v54 s GLN 80 N -2.21 2.31 0.06 0.00 -0.21 -0.07 -4.92 119.66 114.62 1v54 s GLN 80 Ca 0.64 -1.47 0.08 0.00 0.02 0.00 0.00 55.36 54.63 1v54 s GLN 80 Cb -0.52 -2.15 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 1v54 s GLN 80 CO 0.56 0.28 -0.20 1.03 -2.12 0.00 0.00 175.29 174.83 1v54 s ARG 81 N -3.73 1.94 0.17 2.91 0.52 -1.26 -0.96 118.95 118.53 1v54 s ARG 81 Ca 0.33 -1.05 -0.32 0.00 -0.52 0.00 0.00 55.73 54.18 1v54 s ARG 81 Cb -0.05 -2.12 -0.11 0.00 0.52 0.00 0.00 34.95 33.19 1v54 s ARG 81 CO 0.21 0.52 1.73 0.00 0.02 0.00 0.00 175.30 177.78 1v54 h PRO 83 N 7.47 0.00 0.00 0.00 0.11 -1.96 0.34 132.00 137.96 1v54 h PRO 83 Ca -0.44 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.27 1v54 h PRO 83 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1v54 h PRO 83 CO 0.95 0.00 -2.30 0.45 -0.21 0.00 0.00 178.00 176.89 1v54 n SER 84 N -2.49 1.95 -0.15 -2.05 2.88 -1.26 -4.76 113.62 107.74 1v54 n SER 84 Ca -0.02 0.34 0.06 0.00 -1.33 0.00 0.00 58.87 57.92 1v54 n SER 84 Cb 0.08 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 62.69 1v54 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v54 n GLY 86 N 1.14 0.95 3.77 0.00 0.00 0.10 -4.94 105.19 106.21 1v54 n GLY 86 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1v54 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v54 s THR 87 N -3.46 2.11 0.18 2.61 -4.23 -1.26 -4.28 115.64 107.31 1v54 s THR 87 Ca 0.00 0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.42 1v54 s THR 87 Cb 0.00 -3.06 -0.08 0.00 1.34 0.00 0.00 72.50 70.70 1v54 s THR 87 CO 0.00 0.02 0.67 -1.00 -0.54 0.00 0.00 174.62 173.76 1v54 s HIS 88 N -1.19 3.69 0.00 3.99 0.09 0.17 -1.25 115.29 120.78 1v54 s HIS 88 Ca 0.59 1.32 0.02 0.00 -0.00 0.00 0.00 55.06 57.00 1v54 s HIS 88 Cb -0.44 -2.56 -0.01 0.00 -0.00 0.00 0.00 32.58 29.57 1v54 s HIS 88 CO 0.57 0.41 -0.07 0.71 -0.00 0.00 0.00 174.74 176.36 1v54 s TYR 89 N -1.42 0.61 -0.03 1.40 2.02 -0.14 -0.82 117.35 118.98 1v54 s TYR 89 Ca 0.39 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 1v54 s TYR 89 Cb -0.17 -0.39 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 1v54 s TYR 89 CO 0.21 -0.02 0.00 0.21 -1.57 0.00 0.00 175.55 174.38 1v54 s LYS 90 N -0.40 0.29 0.11 -0.62 2.20 -0.10 -0.90 119.74 120.32 1v54 s LYS 90 Ca 0.01 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 1v54 s LYS 90 Cb -0.04 -0.47 -0.06 0.00 -1.51 0.00 0.00 37.83 35.75 1v54 s LYS 90 CO -0.00 -0.13 1.07 -1.17 -0.36 0.00 0.00 175.35 174.76 1v54 s LEU 91 N 1.00 4.45 -0.49 5.43 2.96 -1.26 -0.65 118.68 130.12 1v54 s LEU 91 Ca -0.10 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 55.79 1v54 s LEU 91 Cb -0.14 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.10 1v54 s LEU 91 CO -0.02 -0.25 0.26 0.68 -1.32 0.00 0.00 176.35 175.71 1v54 s VAL 92 N 0.26 2.10 0.98 1.68 -7.23 -0.07 -4.67 120.40 113.44 1v54 s VAL 92 Ca 0.51 -3.05 -0.13 0.00 -1.81 0.00 0.00 61.98 57.50 1v54 s VAL 92 Cb -0.27 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.30 1v54 s VAL 92 CO 0.32 -0.85 0.56 -0.81 -0.31 0.00 0.00 175.10 174.00 1v54 n PRO 93 N 3.23 -0.62 0.00 4.82 -0.04 -1.26 -2.90 135.00 138.23 1v54 n PRO 93 Ca 0.07 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1v54 n PRO 93 Cb 0.33 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1v54 n PRO 93 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1v54 n HIS 94 N -3.93 0.00 0.00 0.54 -0.00 0.64 -4.77 115.22 107.70 1v54 n HIS 94 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1v54 n HIS 94 Cb 0.54 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 1v54 n HIS 94 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1v54 n GLN 95 N 0.00 0.00 0.00 1.57 -0.06 -1.26 -4.87 117.38 112.76 1v54 n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1v54 n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1v54 n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1v54 n LEU 96 N 0.00 0.00 -4.60 1.69 0.00 -1.26 -4.61 117.00 108.22 1v54 n LEU 96 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 1v54 n LEU 96 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1v54 n LEU 96 CO 0.00 0.00 0.72 0.00 0.00 0.00 0.00 177.39 178.11 1v54 s ALA 97 N -0.78 3.41 -1.14 1.96 0.00 -1.26 -5.10 121.76 118.86 1v54 s ALA 97 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1v54 s ALA 97 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1v54 s ALA 97 CO 0.00 -1.58 0.28 0.72 0.00 0.00 0.00 175.76 175.19