#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lpe s ARG 2 N 0.00 1.84 -0.01 2.12 0.52 0.63 -4.61 118.95 119.44 3lpe s ARG 2 Ca 0.00 -1.99 0.03 0.00 -0.52 0.00 0.00 55.73 53.26 3lpe s ARG 2 Cb 0.00 -1.62 -0.01 0.00 0.52 0.00 0.00 34.95 33.85 3lpe s ARG 2 CO 0.00 0.06 -0.10 0.00 0.02 0.00 0.00 175.30 175.28 3lpe s ALA 3 N -2.69 0.89 0.19 2.13 0.00 0.61 -0.53 121.76 122.36 3lpe s ALA 3 Ca 0.33 -0.43 -0.33 0.00 0.00 0.00 0.00 51.96 51.53 3lpe s ALA 3 Cb 0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 23.12 22.79 3lpe s ALA 3 CO 0.17 0.20 1.57 0.00 0.00 0.00 0.00 175.76 177.70 3lpe h LEU 5 N 5.66 0.00 0.00 0.00 3.38 -1.64 -0.41 115.31 122.30 3lpe h LEU 5 Ca -0.45 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.12 3lpe h LEU 5 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 3lpe h LEU 5 CO 0.87 0.07 -2.25 1.17 0.09 0.00 0.00 178.44 178.39 3lpe n LYS 6 N -3.34 0.58 0.00 1.13 4.81 -1.26 -4.72 118.16 115.36 3lpe n LYS 6 Ca -0.01 0.32 0.04 0.00 -0.87 0.00 0.00 58.31 57.78 3lpe n LYS 6 Cb 0.23 -1.54 0.02 0.00 0.02 0.00 0.00 35.03 33.76 3lpe n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3lpe n LYS 8 N 0.06 -0.31 -1.68 0.00 5.02 -0.16 -4.89 118.16 116.19 3lpe n LYS 8 Ca 0.04 0.08 -0.44 0.00 -2.02 0.00 0.00 58.31 55.96 3lpe n LYS 8 Cb 0.17 -3.47 -0.02 0.00 -0.02 0.00 0.00 35.03 31.68 3lpe n LYS 8 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3lpe n TYR 9 N -2.25 2.25 -3.45 2.13 9.36 -1.26 -0.92 117.16 123.01 3lpe n TYR 9 Ca 0.00 0.42 -0.37 0.00 3.32 0.00 0.00 57.90 61.26 3lpe n TYR 9 Cb 0.08 -2.47 -0.06 0.00 -0.63 0.00 0.00 39.34 36.25 3lpe n TYR 9 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3lpe s LEU 10 N -0.02 4.32 0.03 2.98 1.43 0.10 -0.39 118.68 127.14 3lpe s LEU 10 Ca 0.67 0.73 -0.27 0.00 -1.03 0.00 0.00 54.13 54.23 3lpe s LEU 10 Cb -0.63 -2.54 0.09 0.00 0.03 0.00 0.00 46.19 43.14 3lpe s LEU 10 CO 0.50 0.13 0.75 0.28 0.23 0.00 0.00 176.35 178.24 3lpe s THR 11 N 0.11 0.00 -0.52 5.49 -1.32 0.31 -4.78 115.64 114.93 3lpe s THR 11 Ca 0.22 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.95 3lpe s THR 11 Cb -0.15 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.15 3lpe s THR 11 CO 0.09 0.00 1.74 0.78 -2.21 0.00 0.00 174.62 175.01 3lpe h ASN 12 N 2.25 0.00 -3.96 8.08 2.35 -1.94 0.18 115.58 122.54 3lpe h ASN 12 Ca -0.27 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.95 3lpe h ASN 12 Cb 1.24 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.70 3lpe h ASN 12 CO 0.35 0.00 0.63 -0.62 -1.65 0.00 0.00 177.43 176.15 3lpe s ASP 13 N -5.16 6.16 0.00 5.81 -1.08 -1.26 -4.81 116.67 116.33 3lpe s ASP 13 Ca 0.08 2.72 0.20 0.00 -0.52 0.00 0.00 52.55 55.03 3lpe s ASP 13 Cb 0.09 -2.64 0.92 0.00 -1.46 0.00 0.00 42.92 39.83 3lpe s ASP 13 CO 0.59 -0.96 1.65 -0.62 0.52 0.00 0.00 175.17 176.35 3lpe n GLU 14 N -0.00 0.11 -4.18 4.34 1.02 -1.26 -4.70 120.64 115.97 3lpe n GLU 14 Ca 0.04 0.13 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 3lpe n GLU 14 Cb 0.43 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 3lpe n GLU 14 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3lpe s ILE 15 N -2.84 0.50 0.06 -3.67 1.01 -1.26 -1.70 121.20 113.30 3lpe s ILE 15 Ca 0.13 -0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 3lpe s ILE 15 Cb 0.13 -0.49 -0.07 0.00 0.01 0.00 0.00 42.46 42.05 3lpe s ILE 15 CO 0.35 0.19 1.35 0.00 0.00 0.00 0.00 174.94 176.83 3lpe h PRO 17 N 7.15 0.00 0.00 0.00 0.11 -1.96 -0.52 132.00 136.78 3lpe h PRO 17 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3lpe h PRO 17 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3lpe h PRO 17 CO 0.87 0.00 -0.47 0.82 -0.21 0.00 0.00 178.00 179.01 3lpe h ILE 18 N 0.00 0.46 -0.01 4.15 2.04 -1.98 -3.43 117.51 118.74 3lpe h ILE 18 Ca 0.00 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3lpe h ILE 18 Cb 0.45 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3lpe h ILE 18 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3lpe n HIS 20 N -0.13 0.00 -2.11 0.00 8.25 -0.21 -4.97 115.22 116.05 3lpe n HIS 20 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.18 3lpe n HIS 20 Cb 0.10 -0.99 0.03 0.00 1.12 0.00 0.00 29.99 30.26 3lpe n HIS 20 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lpe s SER 21 N -2.11 5.72 0.69 0.41 1.04 -1.26 -4.57 113.70 113.62 3lpe s SER 21 Ca 0.00 1.04 -0.16 0.00 0.48 0.00 0.00 55.95 57.31 3lpe s SER 21 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 64.14 3lpe s SER 21 CO 0.00 -1.09 1.21 -2.84 0.98 0.00 0.00 173.24 171.50 3lpe s PRO 22 N -5.15 2.37 0.31 4.02 0.02 -1.26 -0.94 135.00 134.37 3lpe s PRO 22 Ca 0.55 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.44 3lpe s PRO 22 Cb -0.11 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3lpe s PRO 22 CO 0.49 -1.66 0.10 0.95 -0.33 0.00 0.00 177.00 176.56 3lpe s THR 23 N -1.86 3.23 0.02 0.99 -4.23 -0.69 -1.70 115.64 111.40 3lpe s THR 23 Ca 0.75 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 3lpe s THR 23 Cb -0.30 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.56 3lpe s THR 23 CO 0.42 -0.25 -0.04 -0.55 -0.54 0.00 0.00 174.62 173.66 3lpe s SER 24 N -3.80 0.42 0.15 3.99 0.15 0.61 -4.84 113.70 110.38 3lpe s SER 24 Ca 0.36 -0.35 0.25 0.00 0.70 0.00 0.00 55.95 56.91 3lpe s SER 24 Cb -0.04 0.04 0.92 0.00 -1.71 0.00 0.00 66.02 65.23 3lpe s SER 24 CO 0.22 -0.16 1.76 -0.62 1.20 0.00 0.00 173.24 175.65 3lpe n GLU 25 N 2.07 0.16 -2.97 5.44 1.02 -1.26 -0.28 120.64 124.82 3lpe n GLU 25 Ca -0.20 0.22 -0.44 0.00 -0.02 0.00 0.00 57.16 56.72 3lpe n GLU 25 Cb 0.56 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3lpe n GLU 25 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3lpe n ASN 26 N -2.01 5.32 -4.18 1.62 2.85 -1.26 -4.90 115.26 112.69 3lpe n ASN 26 Ca 0.05 -3.02 -0.12 0.00 -0.11 0.00 0.00 54.58 51.38 3lpe n ASN 26 Cb 0.34 -1.51 -0.10 0.00 1.24 0.00 0.00 39.78 39.74 3lpe n ASN 26 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 3lpe s TRP 27 N 0.69 0.99 -0.01 1.20 1.48 -1.26 -1.22 118.94 120.81 3lpe s TRP 27 Ca 0.40 -0.83 -0.01 0.00 -1.06 0.00 0.00 56.10 54.60 3lpe s TRP 27 Cb -0.03 -0.55 0.01 0.00 -1.16 0.00 0.00 33.47 31.75 3lpe s TRP 27 CO -0.01 -0.08 0.03 0.42 -4.06 0.00 0.00 176.95 173.25 3lpe s ILE 28 N -3.34 -0.02 0.00 0.66 -1.09 0.12 -5.00 121.20 112.54 3lpe s ILE 28 Ca 0.11 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 3lpe s ILE 28 Cb 0.03 -0.06 0.00 0.00 -1.58 0.00 0.00 42.46 40.86 3lpe s ILE 28 CO -0.03 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.31 3lpe n GLY 29 N 3.36 -0.46 2.75 6.18 0.00 -1.26 -0.17 105.19 115.59 3lpe n GLY 29 Ca -0.16 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 3lpe n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lpe s LEU 30 N -1.98 0.71 -0.18 0.99 2.96 -1.26 -2.81 118.68 117.11 3lpe s LEU 30 Ca 0.00 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3lpe s LEU 30 Cb 0.00 -0.18 0.04 0.00 0.50 0.00 0.00 46.19 46.55 3lpe s LEU 30 CO 0.00 -0.17 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.57 3lpe s LEU 31 N 1.55 1.91 -0.32 -0.68 2.96 0.98 -4.92 118.68 120.16 3lpe s LEU 31 Ca -0.03 -0.78 -0.11 0.00 -0.22 0.00 0.00 54.13 52.99 3lpe s LEU 31 Cb -0.13 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 3lpe s LEU 31 CO -0.03 -0.18 0.18 -0.63 -1.32 0.00 0.00 176.35 174.38 3lpe s ILE 32 N 1.54 4.80 -0.38 6.68 1.01 -1.26 -0.37 121.20 133.22 3lpe s ILE 32 Ca -0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 3lpe s ILE 32 Cb -0.16 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3lpe s ILE 32 CO -0.08 0.03 0.33 -0.69 0.00 0.00 0.00 174.94 174.53 3lpe s VAL 33 N 1.64 5.20 -0.13 2.92 1.01 0.42 -4.93 120.40 126.54 3lpe s VAL 33 Ca 0.05 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3lpe s VAL 33 Cb -0.17 -3.87 -0.26 0.00 0.00 0.00 0.00 36.38 32.08 3lpe s VAL 33 CO 0.08 -0.20 0.36 -0.38 0.00 0.00 0.00 175.10 174.95 3lpe n ILE 34 N 5.23 1.76 -3.63 2.22 5.41 -1.26 -1.59 119.36 127.50 3lpe n ILE 34 Ca -0.10 -0.59 -0.29 0.00 1.00 0.00 0.00 62.75 62.76 3lpe n ILE 34 Cb 0.48 -1.77 -0.13 0.00 -0.71 0.00 0.00 39.64 37.51 3lpe n ILE 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3lpe s ASN 35 N -7.03 3.55 0.24 4.38 3.84 -1.26 -4.84 114.94 113.82 3lpe s ASN 35 Ca -0.23 -2.11 -0.07 0.00 0.21 0.00 0.00 52.86 50.65 3lpe s ASN 35 Cb 0.06 -0.75 0.23 0.00 -0.55 0.00 0.00 41.25 40.25 3lpe s ASN 35 CO 0.75 -0.33 1.92 -0.65 -2.79 0.00 0.00 177.10 175.99 3lpe h PRO 36 N 7.33 1.23 -0.51 0.43 0.11 -1.89 -0.67 132.00 138.04 3lpe h PRO 36 Ca -0.04 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 3lpe h PRO 36 Cb 0.97 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 3lpe h PRO 36 CO 0.41 0.82 0.25 0.93 -0.21 0.00 0.00 178.00 180.20 3lpe h GLU 37 N 1.27 0.70 -0.01 1.05 3.07 -1.92 -2.98 114.58 115.76 3lpe h GLU 37 Ca 0.34 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3lpe h GLU 37 Cb -0.15 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.62 3lpe h GLU 37 CO -0.07 0.54 -0.54 1.63 -1.40 0.00 0.00 179.01 179.17 3lpe n LYS 38 N -4.38 1.26 -3.05 2.33 5.02 -0.89 -4.92 118.16 113.53 3lpe n LYS 38 Ca 0.04 -0.68 -0.41 0.00 -2.02 0.00 0.00 58.31 55.24 3lpe n LYS 38 Cb 0.12 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3lpe n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3lpe s SER 39 N -2.37 6.55 0.20 4.39 0.15 -0.31 -4.93 113.70 117.38 3lpe s SER 39 Ca 0.14 0.48 -0.05 0.00 0.70 0.00 0.00 55.95 57.22 3lpe s SER 39 Cb 0.15 -2.36 0.15 0.00 -1.71 0.00 0.00 66.02 62.25 3lpe s SER 39 CO 0.57 -0.55 1.59 -0.08 1.20 0.00 0.00 173.24 175.98 3lpe h GLU 40 N 8.20 0.78 -0.50 5.44 4.81 -1.91 -2.68 114.58 128.72 3lpe h GLU 40 Ca -0.26 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.62 3lpe h GLU 40 Cb 1.11 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 3lpe h GLU 40 CO 0.84 0.96 0.26 0.82 -0.73 0.00 0.00 179.01 181.16 3lpe h ILE 41 N 0.67 1.18 -0.57 2.32 2.04 -1.97 -1.33 117.51 119.85 3lpe h ILE 41 Ca 0.08 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3lpe h ILE 41 Cb 0.80 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3lpe h ILE 41 CO 0.07 0.20 0.29 0.00 0.00 0.00 0.00 178.15 178.71 3lpe h ALA 42 N 1.10 0.74 -0.53 1.87 0.00 -1.85 -0.20 119.26 120.38 3lpe h ALA 42 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3lpe h ALA 42 Cb 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3lpe h ALA 42 CO -0.03 -0.06 0.34 0.87 0.00 0.00 0.00 179.25 180.38 3lpe h LYS 43 N 0.55 0.68 0.00 0.00 1.57 -1.12 0.12 116.57 118.37 3lpe h LYS 43 Ca 0.26 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3lpe h LYS 43 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3lpe h LYS 43 CO -0.18 0.45 -0.19 0.87 -0.57 0.00 0.00 179.45 179.82 3lpe h LYS 44 N 0.70 0.00 -0.01 3.15 1.79 -0.68 -1.75 116.57 119.77 3lpe h LYS 44 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3lpe h LYS 44 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3lpe h LYS 44 CO -0.06 0.19 -0.03 0.00 -1.08 0.00 0.00 179.45 178.48 3lpe n ALA 45 N -2.45 2.66 -2.23 3.86 0.00 -0.14 -4.92 120.51 117.30 3lpe n ALA 45 Ca -0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 3lpe n ALA 45 Cb 0.27 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3lpe n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lpe n GLY 46 N 1.15 -0.13 3.56 0.00 0.00 -0.47 -5.02 105.19 104.28 3lpe n GLY 46 Ca 0.19 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3lpe n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lpe s ILE 47 N -2.62 4.66 0.00 -0.61 1.01 0.31 -4.96 121.20 118.99 3lpe s ILE 47 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3lpe s ILE 47 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3lpe s ILE 47 CO 0.00 0.39 0.85 -0.90 0.00 0.00 0.00 174.94 175.29 3lpe n ASP 48 N 4.19 1.53 -4.03 3.58 5.75 -1.26 -4.21 116.55 122.10 3lpe n ASP 48 Ca -0.16 -1.72 -0.21 0.00 -0.01 0.00 0.00 54.79 52.69 3lpe n ASP 48 Cb 0.52 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.46 3lpe n ASP 48 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3lpe s ILE 49 N -0.72 0.86 0.61 2.12 2.07 -1.26 -4.86 121.20 120.01 3lpe s ILE 49 Ca 0.00 -0.42 -0.19 0.00 -1.41 0.00 0.00 60.65 58.63 3lpe s ILE 49 Cb 0.00 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 3lpe s ILE 49 CO 0.00 0.26 1.28 2.29 -1.91 0.00 0.00 174.94 176.86 3lpe n LYS 50 N 3.14 1.27 -2.81 3.50 2.85 -1.26 -4.93 118.16 119.93 3lpe n LYS 50 Ca -0.17 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 3lpe n LYS 50 Cb 0.55 -2.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.42 3lpe n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3lpe n GLY 51 N 0.91 -1.25 3.63 2.58 0.00 -0.62 -5.00 105.19 105.44 3lpe n GLY 51 Ca 0.14 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 3lpe n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lpe s LYS 52 N -1.84 2.80 0.04 1.61 1.02 -1.26 -0.44 119.74 121.67 3lpe s LYS 52 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.49 3lpe s LYS 52 Cb 0.00 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3lpe s LYS 52 CO 0.00 0.66 -0.10 0.71 -0.92 0.00 0.00 175.35 175.70 3lpe s TYR 53 N -0.89 0.89 0.66 3.18 2.02 0.50 -0.72 117.35 122.99 3lpe s TYR 53 Ca 0.14 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 3lpe s TYR 53 Cb -0.11 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.91 3lpe s TYR 53 CO 0.04 -0.02 1.05 0.00 -1.57 0.00 0.00 175.55 175.05 3lpe s ALA 54 N -1.11 2.96 -0.04 3.71 0.00 -0.10 -0.01 121.76 127.17 3lpe s ALA 54 Ca -0.04 -0.14 0.13 0.00 0.00 0.00 0.00 51.96 51.91 3lpe s ALA 54 Cb -0.09 -3.08 -0.18 0.00 0.00 0.00 0.00 23.12 19.77 3lpe s ALA 54 CO 0.01 -0.91 0.89 -0.07 0.00 0.00 0.00 175.76 175.68 3lpe h LEU 55 N -0.48 0.00 -7.45 0.00 3.38 -0.39 -3.44 115.31 106.92 3lpe h LEU 55 Ca -0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 3lpe h LEU 55 Cb 1.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.78 3lpe h LEU 55 CO 0.62 0.86 -0.19 -0.94 0.09 0.00 0.00 178.44 178.88 3lpe s SER 56 N -6.17 -0.23 -0.01 -0.43 1.04 -0.43 -5.00 113.70 102.47 3lpe s SER 56 Ca -0.02 0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 3lpe s SER 56 Cb 0.09 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3lpe s SER 56 CO 0.81 -0.57 0.14 -0.69 0.98 0.00 0.00 173.24 173.91 3lpe s VAL 57 N -2.02 0.07 0.09 5.02 1.01 -1.26 -0.70 120.40 122.61 3lpe s VAL 57 Ca -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 3lpe s VAL 57 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3lpe s VAL 57 CO 0.00 -0.32 0.14 -0.54 0.00 0.00 0.00 175.10 174.38 3lpe s LYS 58 N -1.16 0.82 0.00 2.72 1.02 -0.35 -5.01 119.74 117.78 3lpe s LYS 58 Ca -0.12 -1.06 0.11 0.00 0.02 0.00 0.00 55.97 54.91 3lpe s LYS 58 Cb -0.07 0.31 0.63 0.00 -0.52 0.00 0.00 37.83 38.18 3lpe s LYS 58 CO 0.01 -0.24 1.07 0.39 -0.92 0.00 0.00 175.35 175.66