#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lpe n HIS 0 N 0.00 0.00 -2.20 0.00 -0.00 -1.26 -5.13 115.22 106.63 3lpe n HIS 0 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 3lpe n HIS 0 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3lpe n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3lpe s MET 1 N 0.00 4.32 -0.04 -1.40 1.00 -1.24 -4.93 119.30 117.01 3lpe s MET 1 Ca 0.00 2.03 0.03 0.00 0.00 0.00 0.00 55.69 57.75 3lpe s MET 1 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 34.83 31.48 3lpe s MET 1 CO 0.00 -0.47 -0.13 0.42 0.00 0.00 0.00 175.02 174.84 3lpe s ILE 2 N 1.48 1.14 0.04 2.53 1.01 -1.26 -1.25 121.20 124.90 3lpe s ILE 2 Ca 0.64 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3lpe s ILE 2 Cb -0.35 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 3lpe s ILE 2 CO 0.29 0.34 -0.20 -0.36 0.00 0.00 0.00 174.94 175.01 3lpe s PHE 3 N 0.13 1.73 -0.16 3.97 0.08 0.23 -0.18 117.98 123.79 3lpe s PHE 3 Ca -0.04 -0.37 -0.17 0.00 0.12 0.00 0.00 56.93 56.47 3lpe s PHE 3 Cb -0.10 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 3lpe s PHE 3 CO 0.01 0.09 0.43 0.00 -0.10 0.00 0.00 175.22 175.65 3lpe s ALA 4 N -0.82 3.52 -0.21 5.36 0.00 -1.26 -0.27 121.76 128.09 3lpe s ALA 4 Ca 0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 3lpe s ALA 4 Cb -0.09 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3lpe s ALA 4 CO 0.02 -0.13 0.02 0.08 0.00 0.00 0.00 175.76 175.75 3lpe s VAL 5 N 0.93 4.13 0.08 0.00 1.01 0.52 -0.76 120.40 126.32 3lpe s VAL 5 Ca 0.22 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3lpe s VAL 5 Cb -0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3lpe s VAL 5 CO 0.08 0.42 0.95 -0.60 0.00 0.00 0.00 175.10 175.95 3lpe s ARG 6 N 1.02 4.65 0.36 2.72 3.52 0.11 -1.09 118.95 130.24 3lpe s ARG 6 Ca 0.02 1.41 0.03 0.00 -0.13 0.00 0.00 55.73 57.06 3lpe s ARG 6 Cb -0.14 -3.39 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 3lpe s ARG 6 CO 0.02 0.16 0.11 0.95 -0.81 0.00 0.00 175.30 175.73 3lpe s THR 7 N 0.21 0.75 0.32 4.11 -4.23 0.18 -1.13 115.64 115.85 3lpe s THR 7 Ca 0.47 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 3lpe s THR 7 Cb -0.23 -2.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 3lpe s THR 7 CO 0.29 0.00 1.31 -0.04 -0.54 0.00 0.00 174.62 175.64 3lpe s MET 8 N -3.81 4.36 0.17 3.99 1.00 -0.75 -4.56 119.30 119.70 3lpe s MET 8 Ca 0.30 2.20 -0.32 0.00 0.00 0.00 0.00 55.69 57.87 3lpe s MET 8 Cb 0.05 -3.08 -0.12 0.00 0.00 0.00 0.00 34.83 31.68 3lpe s MET 8 CO 0.15 -0.19 1.72 0.28 0.00 0.00 0.00 175.02 176.98 3lpe n VAL 9 N 1.00 0.10 0.00 -6.03 0.31 -1.26 -1.73 118.33 110.72 3lpe n VAL 9 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3lpe n VAL 9 Cb 0.42 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 3lpe n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3lpe n GLY 10 N 3.91 1.02 1.38 2.92 0.00 -1.26 -4.89 105.19 108.27 3lpe n GLY 10 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3lpe n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lpe n GLN 11 N -2.00 3.17 0.17 1.61 1.13 -0.71 -4.73 117.38 116.02 3lpe n GLN 11 Ca 0.00 -2.71 -0.14 0.00 -1.94 0.00 0.00 57.00 52.20 3lpe n GLN 11 Cb 0.00 -1.69 -0.08 0.00 0.11 0.00 0.00 30.24 28.59 3lpe n GLN 11 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3lpe h GLU 12 N 3.96 -0.35 -0.58 -1.09 3.07 -1.91 -0.64 114.58 117.04 3lpe h GLU 12 Ca 0.00 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 3lpe h GLU 12 Cb 1.17 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 3lpe h GLU 12 CO 0.10 -0.19 0.09 0.87 -1.40 0.00 0.00 179.01 178.48 3lpe h LYS 13 N -0.43 0.96 -0.52 2.33 1.57 -1.93 -1.03 116.57 117.52 3lpe h LYS 13 Ca -0.04 -0.26 0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3lpe h LYS 13 Cb 0.32 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3lpe h LYS 13 CO 0.06 0.91 0.16 -0.91 -0.57 0.00 0.00 179.45 179.10 3lpe h ASN 14 N 0.85 0.12 -0.18 0.86 2.35 -1.84 -1.69 115.58 116.07 3lpe h ASN 14 Ca 0.17 0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 3lpe h ASN 14 Cb 0.42 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3lpe h ASN 14 CO 0.01 0.09 -0.47 0.40 -1.65 0.00 0.00 177.43 175.81 3lpe h ILE 15 N 0.32 1.29 -1.00 2.81 2.04 -0.81 -2.09 117.51 120.07 3lpe h ILE 15 Ca 0.26 -1.67 0.08 0.00 1.00 0.00 0.00 64.86 64.53 3lpe h ILE 15 Cb 0.31 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 3lpe h ILE 15 CO -0.29 0.54 0.64 0.00 0.00 0.00 0.00 178.15 179.04 3lpe h ALA 16 N 0.88 1.43 -0.23 1.87 0.00 -0.78 0.14 119.26 122.56 3lpe h ALA 16 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3lpe h ALA 16 Cb 1.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3lpe h ALA 16 CO 0.10 0.37 0.03 0.78 0.00 0.00 0.00 179.25 180.53 3lpe h GLY 17 N 1.11 0.42 1.07 0.00 0.00 -0.94 -1.15 103.07 103.59 3lpe h GLY 17 Ca 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3lpe h GLY 17 CO -0.20 0.27 0.50 1.41 0.00 0.00 0.00 176.54 178.51 3lpe h LEU 18 N 0.18 1.09 -0.25 3.11 3.38 -0.99 -2.52 115.31 119.31 3lpe h LEU 18 Ca 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3lpe h LEU 18 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3lpe h LEU 18 CO 0.01 0.86 0.14 0.24 0.09 0.00 0.00 178.44 179.78 3lpe h MET 19 N 1.23 0.36 -0.26 1.13 2.86 -0.56 -1.12 114.93 118.58 3lpe h MET 19 Ca 0.31 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 3lpe h MET 19 Cb 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3lpe h MET 19 CO -0.05 0.33 0.15 0.00 1.06 0.00 0.00 176.91 178.40 3lpe h ALA 20 N 1.01 0.32 -0.20 6.32 0.00 -1.06 0.13 119.26 125.78 3lpe h ALA 20 Ca 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3lpe h ALA 20 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3lpe h ALA 20 CO -0.01 -0.23 -0.07 0.77 0.00 0.00 0.00 179.25 179.71 3lpe h SER 21 N 0.32 -0.25 -0.53 0.00 0.02 -1.35 -2.19 113.55 109.56 3lpe h SER 21 Ca 0.10 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 3lpe h SER 21 Cb -0.01 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3lpe h SER 21 CO -0.04 -0.10 0.05 -0.09 -1.14 0.00 0.00 176.83 175.51 3lpe h ARG 22 N -0.04 0.95 -0.39 3.45 2.43 -0.89 -1.18 114.38 118.71 3lpe h ARG 22 Ca 0.10 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3lpe h ARG 22 Cb 0.19 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3lpe h ARG 22 CO -0.23 0.91 0.21 0.00 -1.51 0.00 0.00 179.97 179.35 3lpe h ALA 23 N 1.16 0.49 0.03 2.80 0.00 -0.51 0.76 119.26 123.98 3lpe h ALA 23 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3lpe h ALA 23 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3lpe h ALA 23 CO 0.02 -0.15 -0.02 0.93 0.00 0.00 0.00 179.25 180.03 3lpe h GLU 24 N 0.42 -0.04 -0.66 0.00 5.08 -1.23 -0.15 114.58 118.00 3lpe h GLU 24 Ca 0.16 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 3lpe h GLU 24 Cb 0.06 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 3lpe h GLU 24 CO -0.10 0.30 0.38 0.87 -1.00 0.00 0.00 179.01 179.46 3lpe h LYS 25 N -0.39 0.69 -0.06 2.33 6.56 -1.10 -2.55 116.57 122.05 3lpe h LYS 25 Ca -0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3lpe h LYS 25 Cb 0.37 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 3lpe h LYS 25 CO 0.01 0.46 0.00 0.39 -2.06 0.00 0.00 179.45 178.25 3lpe n GLU 26 N -4.76 1.77 -3.72 3.15 -0.58 0.25 -4.95 120.64 111.79 3lpe n GLU 26 Ca 0.08 -1.13 -0.23 0.00 -0.42 0.00 0.00 57.16 55.47 3lpe n GLU 26 Cb 0.15 -1.46 0.04 0.00 -0.57 0.00 0.00 31.44 29.60 3lpe n GLU 26 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3lpe n GLN 27 N 0.36 -5.32 -3.00 3.49 6.02 -0.19 -4.97 117.38 113.77 3lpe n GLN 27 Ca 0.18 0.64 -0.31 0.00 -0.01 0.00 0.00 57.00 57.50 3lpe n GLN 27 Cb 0.38 -5.33 -0.05 0.00 1.02 0.00 0.00 30.24 26.26 3lpe n GLN 27 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3lpe s LEU 28 N -6.80 3.95 -1.50 1.08 1.43 -0.49 -4.96 118.68 111.40 3lpe s LEU 28 Ca 0.16 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 3lpe s LEU 28 Cb -0.08 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.10 3lpe s LEU 28 CO 0.81 -0.30 2.49 0.47 0.23 0.00 0.00 176.35 180.05 3lpe n ASP 29 N -0.80 6.21 -4.36 2.29 8.00 -1.26 -4.85 116.55 121.78 3lpe n ASP 29 Ca 0.03 -2.79 -0.34 0.00 0.71 0.00 0.00 54.79 52.41 3lpe n ASP 29 Cb 0.53 -1.58 -0.14 0.00 -0.02 0.00 0.00 41.12 39.91 3lpe n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lpe s VAL 30 N 2.18 3.19 -0.14 2.53 1.01 -1.26 -1.50 120.40 126.41 3lpe s VAL 30 Ca 0.56 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.03 3lpe s VAL 30 Cb 0.15 -2.38 -0.15 0.00 0.00 0.00 0.00 36.38 34.01 3lpe s VAL 30 CO -0.07 0.49 -0.01 -1.22 0.00 0.00 0.00 175.10 174.30 3lpe n TYR 31 N 3.95 0.00 -3.51 5.22 4.01 0.73 -4.99 117.16 122.57 3lpe n TYR 31 Ca -0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 3lpe n TYR 31 Cb 0.52 -0.64 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 3lpe n TYR 31 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3lpe s SER 32 N -4.87 -0.44 -0.02 7.72 1.04 -1.18 -5.01 113.70 110.93 3lpe s SER 32 Ca -0.11 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.25 3lpe s SER 32 Cb 0.04 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.73 3lpe s SER 32 CO 0.49 -0.90 -0.00 -0.63 0.98 0.00 0.00 173.24 173.18 3lpe s ILE 33 N -3.61 0.18 -0.10 -1.02 1.01 -1.26 -0.84 121.20 115.56 3lpe s ILE 33 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3lpe s ILE 33 Cb 0.00 -0.26 0.02 0.00 0.01 0.00 0.00 42.46 42.24 3lpe s ILE 33 CO -0.11 0.13 -0.11 -0.22 0.00 0.00 0.00 174.94 174.63 3lpe s LEU 34 N 0.83 1.45 -0.31 2.97 2.96 0.49 -4.97 118.68 122.10 3lpe s LEU 34 Ca -0.08 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3lpe s LEU 34 Cb -0.12 -0.91 0.08 0.00 0.50 0.00 0.00 46.19 45.75 3lpe s LEU 34 CO -0.01 -0.05 -0.01 0.00 -1.32 0.00 0.00 176.35 174.95 3lpe s ALA 35 N 1.29 2.69 -0.10 5.97 0.00 -1.26 -0.75 121.76 129.60 3lpe s ALA 35 Ca -0.02 -2.18 -0.10 0.00 0.00 0.00 0.00 51.96 49.66 3lpe s ALA 35 Cb -0.14 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 3lpe s ALA 35 CO -0.04 -1.49 0.24 0.45 0.00 0.00 0.00 175.76 174.92 3lpe s SER 36 N 1.02 6.51 0.62 0.00 0.15 -1.26 -4.96 113.70 115.77 3lpe s SER 36 Ca 0.03 0.60 0.39 0.00 0.70 0.00 0.00 55.95 57.67 3lpe s SER 36 Cb -0.19 -2.14 2.04 0.00 -1.71 0.00 0.00 66.02 64.02 3lpe s SER 36 CO -0.07 0.32 2.25 -0.33 1.20 0.00 0.00 173.24 176.61 3lpe h GLU 37 N 5.26 0.00 -0.38 5.44 4.39 -1.98 -0.98 114.58 126.34 3lpe h GLU 37 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3lpe h GLU 37 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3lpe h GLU 37 CO 0.63 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 177.36 3lpe n SER 38 N -3.25 2.35 -3.45 1.42 3.41 -1.26 -4.36 113.62 108.49 3lpe n SER 38 Ca -0.02 -1.93 -0.26 0.00 -0.26 0.00 0.00 58.87 56.40 3lpe n SER 38 Cb 0.14 -0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 63.74 3lpe n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3lpe n LEU 39 N 0.78 0.82 -4.75 1.04 7.94 -0.37 -5.11 117.00 117.34 3lpe n LEU 39 Ca 0.16 -4.73 -0.40 0.00 -1.11 0.00 0.00 56.01 49.93 3lpe n LEU 39 Cb 0.39 0.18 -0.05 0.00 0.53 0.00 0.00 43.42 44.47 3lpe n LEU 39 CO 0.12 1.91 0.73 -0.54 -1.11 0.00 0.00 177.39 178.50 3lpe s LYS 40 N -0.81 4.73 0.00 1.96 1.02 -1.26 -3.48 119.74 121.90 3lpe s LYS 40 Ca 0.33 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.99 3lpe s LYS 40 Cb 0.07 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 3lpe s LYS 40 CO -0.15 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 3lpe n GLY 41 N 1.33 0.64 3.03 -3.33 0.00 -1.26 -4.95 105.19 100.65 3lpe n GLY 41 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3lpe n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lpe s TYR 42 N -2.01 -0.02 -0.05 1.61 1.51 -1.23 0.47 117.35 117.64 3lpe s TYR 42 Ca 0.00 0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 3lpe s TYR 42 Cb 0.00 -0.02 -0.01 0.00 -0.11 0.00 0.00 41.96 41.82 3lpe s TYR 42 CO 0.00 -0.15 -0.21 0.08 -1.11 0.00 0.00 175.55 174.15 3lpe s VAL 43 N -0.63 1.74 -0.10 0.71 1.01 -0.25 -4.67 120.40 118.21 3lpe s VAL 43 Ca -0.07 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3lpe s VAL 43 Cb -0.04 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3lpe s VAL 43 CO 0.00 0.49 0.42 -0.76 0.00 0.00 0.00 175.10 175.26 3lpe s LEU 44 N -0.12 4.32 -0.18 3.92 1.43 0.07 -0.36 118.68 127.76 3lpe s LEU 44 Ca -0.02 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 3lpe s LEU 44 Cb -0.12 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.54 3lpe s LEU 44 CO 0.02 0.11 -0.11 -0.69 0.23 0.00 0.00 176.35 175.91 3lpe s VAL 45 N 0.13 1.57 -0.26 -1.59 1.01 0.63 -0.38 120.40 121.52 3lpe s VAL 45 Ca 0.23 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 3lpe s VAL 45 Cb -0.15 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3lpe s VAL 45 CO 0.10 0.25 0.58 -0.70 0.00 0.00 0.00 175.10 175.33 3lpe s GLU 46 N 1.45 4.09 0.15 2.72 2.12 -0.02 -0.60 118.70 128.60 3lpe s GLU 46 Ca 0.01 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.69 3lpe s GLU 46 Cb -0.15 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.59 3lpe s GLU 46 CO -0.09 -0.39 0.30 0.00 -0.54 0.00 0.00 175.26 174.55 3lpe s ALA 47 N 2.43 -0.23 0.15 6.30 0.00 -0.38 -0.19 121.76 129.83 3lpe s ALA 47 Ca 0.24 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 3lpe s ALA 47 Cb -0.16 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 3lpe s ALA 47 CO 0.09 -0.64 1.49 1.49 0.00 0.00 0.00 175.76 178.18 3lpe h GLU 48 N 2.53 0.95 -4.31 0.00 4.57 -1.53 -3.30 114.58 113.48 3lpe h GLU 48 Ca -0.32 -0.49 -0.15 0.00 -1.18 0.00 0.00 59.36 57.22 3lpe h GLU 48 Cb 1.23 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.68 3lpe h GLU 48 CO 0.48 1.15 -0.64 0.95 -1.18 0.00 0.00 179.01 179.77 3lpe s THR 49 N -4.43 0.15 0.33 0.32 -4.23 -1.26 -4.70 115.64 101.82 3lpe s THR 49 Ca -0.11 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 3lpe s THR 49 Cb 0.11 -1.80 0.14 0.00 1.34 0.00 0.00 72.50 72.29 3lpe s THR 49 CO 0.88 -0.68 1.85 0.50 -0.54 0.00 0.00 174.62 176.63 3lpe h LYS 50 N 2.97 0.48 -0.67 3.99 3.64 -1.98 -2.69 116.57 122.30 3lpe h LYS 50 Ca -0.34 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 3lpe h LYS 50 Cb 1.18 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 3lpe h LYS 50 CO 0.61 0.55 0.44 0.78 -2.27 0.00 0.00 179.45 179.57 3lpe h GLY 51 N 0.85 0.87 0.98 5.01 0.00 -1.99 0.06 103.07 108.86 3lpe h GLY 51 Ca 0.09 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3lpe h GLY 51 CO 0.02 0.22 0.50 -0.55 0.00 0.00 0.00 176.54 176.72 3lpe h ASP 52 N 0.71 0.85 -0.19 0.19 3.32 -1.85 -0.90 116.42 118.54 3lpe h ASP 52 Ca 0.28 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3lpe h ASP 52 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3lpe h ASP 52 CO -0.09 0.61 -0.40 0.58 -1.72 0.00 0.00 179.24 178.22 3lpe h VAL 53 N 1.01 1.29 -0.52 -1.35 2.07 -1.16 0.08 116.25 117.66 3lpe h VAL 53 Ca 0.28 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3lpe h VAL 53 Cb -0.09 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3lpe h VAL 53 CO -0.07 0.51 0.29 -0.33 0.02 0.00 0.00 177.57 177.99 3lpe h GLU 54 N 0.60 0.72 -0.15 1.57 4.39 -0.80 -1.33 114.58 119.58 3lpe h GLU 54 Ca 0.05 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 3lpe h GLU 54 Cb 0.95 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3lpe h GLU 54 CO 0.09 0.55 -0.47 1.49 -1.16 0.00 0.00 179.01 179.51 3lpe h GLU 55 N 0.69 0.37 -0.48 2.33 4.57 -1.01 -1.84 114.58 119.21 3lpe h GLU 55 Ca 0.18 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3lpe h GLU 55 Cb 0.04 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3lpe h GLU 55 CO -0.03 0.76 0.26 1.25 -1.18 0.00 0.00 179.01 180.07 3lpe h LEU 56 N 0.30 0.61 -0.80 1.64 5.85 -0.43 -3.04 115.31 119.42 3lpe h LEU 56 Ca 0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3lpe h LEU 56 Cb 0.94 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3lpe h LEU 56 CO 0.08 0.53 -0.29 2.30 -0.34 0.00 0.00 178.44 180.72 3lpe n ILE 57 N -4.66 0.00 -1.53 4.05 -5.35 -0.55 -4.83 119.36 106.48 3lpe n ILE 57 Ca 0.02 -0.21 -0.51 0.00 -0.27 0.00 0.00 62.75 61.78 3lpe n ILE 57 Cb 0.09 0.77 -0.07 0.00 -1.74 0.00 0.00 39.64 38.69 3lpe n ILE 57 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3lpe n LYS 58 N -0.23 1.29 -0.97 6.28 4.81 -0.70 -0.77 118.16 127.87 3lpe n LYS 58 Ca 0.12 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 3lpe n LYS 58 Cb 0.41 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3lpe n LYS 58 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3lpe n GLY 59 N 5.80 0.48 3.70 3.14 0.00 -1.26 -4.99 105.19 112.06 3lpe n GLY 59 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 3lpe n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3lpe s MET 60 N -0.40 4.41 0.61 1.61 1.75 0.05 -5.00 119.30 122.32 3lpe s MET 60 Ca 0.00 1.63 -0.18 0.00 -1.25 0.00 0.00 55.69 55.88 3lpe s MET 60 Cb 0.00 -3.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.16 3lpe s MET 60 CO 0.00 -0.32 1.22 -2.14 -0.65 0.00 0.00 175.02 173.13 3lpe s PRO 61 N 1.70 2.88 -0.36 4.11 0.02 -1.26 -3.43 135.00 138.65 3lpe s PRO 61 Ca 0.55 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3lpe s PRO 61 Cb -0.25 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3lpe s PRO 61 CO 0.24 -1.29 0.00 0.54 -0.33 0.00 0.00 177.00 176.16 3lpe n ARG 62 N -1.70 -0.95 -4.31 5.54 1.74 -1.26 -4.99 116.66 110.74 3lpe n ARG 62 Ca 0.14 0.45 -0.34 0.00 -0.77 0.00 0.00 57.85 57.33 3lpe n ARG 62 Cb 0.49 -4.29 -0.11 0.00 -1.02 0.00 0.00 32.46 27.53 3lpe n ARG 62 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3lpe s VAL 63 N -1.77 4.15 -0.12 1.55 1.01 -1.22 -1.82 120.40 122.18 3lpe s VAL 63 Ca 0.00 -0.27 0.16 0.00 0.00 0.00 0.00 61.98 61.87 3lpe s VAL 63 Cb 0.00 -2.82 -0.23 0.00 0.00 0.00 0.00 36.38 33.33 3lpe s VAL 63 CO 0.00 0.50 0.42 -1.14 0.00 0.00 0.00 175.10 174.88 3lpe n ARG 64 N 3.37 0.66 -2.29 2.72 3.00 -0.28 -4.97 116.66 118.86 3lpe n ARG 64 Ca -0.17 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 3lpe n ARG 64 Cb 0.53 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.32 3lpe n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3lpe n GLY 65 N 1.61 -0.29 3.52 5.14 0.00 -1.24 -4.99 105.19 108.93 3lpe n GLY 65 Ca -0.22 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 3lpe n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lpe s ILE 66 N -2.64 3.78 0.21 -0.61 1.01 -1.26 -0.71 121.20 120.98 3lpe s ILE 66 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3lpe s ILE 66 Cb 0.00 -2.62 -0.09 0.00 0.01 0.00 0.00 42.46 39.76 3lpe s ILE 66 CO 0.00 0.53 1.41 -0.69 0.00 0.00 0.00 174.94 176.19 3lpe s VAL 67 N -0.02 2.88 0.37 2.92 1.01 0.06 -4.95 120.40 122.68 3lpe s VAL 67 Ca 0.00 0.71 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 3lpe s VAL 67 Cb -0.13 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 3lpe s VAL 67 CO 0.03 0.10 1.42 -2.84 0.00 0.00 0.00 175.10 173.81 3lpe s PRO 68 N 0.07 4.13 0.00 2.72 0.02 -1.26 -4.61 135.00 136.07 3lpe s PRO 68 Ca 0.61 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3lpe s PRO 68 Cb -0.40 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.16 3lpe s PRO 68 CO 0.39 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 3lpe n GLY 69 N 0.57 -1.38 3.88 0.52 0.00 -1.26 -4.99 105.19 102.53 3lpe n GLY 69 Ca 0.01 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3lpe n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lpe s THR 70 N -3.25 3.89 -0.19 2.61 -4.23 -1.26 -4.71 115.64 108.50 3lpe s THR 70 Ca 0.00 0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 61.05 3lpe s THR 70 Cb 0.00 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3lpe s THR 70 CO 0.00 -0.80 0.06 -0.63 -0.54 0.00 0.00 174.62 172.71 3lpe s ILE 71 N -3.29 4.76 0.42 2.99 -1.09 0.75 -5.00 121.20 120.74 3lpe s ILE 71 Ca 0.57 -0.04 -0.24 0.00 -2.23 0.00 0.00 60.65 58.71 3lpe s ILE 71 Cb -0.11 -3.15 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 3lpe s ILE 71 CO 0.53 0.45 1.12 0.00 -1.23 0.00 0.00 174.94 175.80 3lpe s ALA 72 N 0.45 3.06 0.35 9.38 0.00 -1.26 -4.25 121.76 129.49 3lpe s ALA 72 Ca 0.03 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.89 3lpe s ALA 72 Cb -0.13 -3.33 0.75 0.00 0.00 0.00 0.00 23.12 20.41 3lpe s ALA 72 CO 0.01 -0.44 1.93 0.97 0.00 0.00 0.00 175.76 178.22 3lpe h ILE 73 N 2.10 0.97 0.00 0.00 6.09 -1.99 -1.10 117.51 123.58 3lpe h ILE 73 Ca -0.49 -0.26 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 3lpe h ILE 73 Cb 1.23 0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.66 3lpe h ILE 73 CO 0.62 0.14 -0.08 1.05 -3.07 0.00 0.00 178.15 176.81 3lpe h GLU 74 N 0.76 0.00 0.00 2.19 9.09 -2.01 -0.72 114.58 123.89 3lpe h GLU 74 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 3lpe h GLU 74 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3lpe h GLU 74 CO -0.14 0.08 0.00 0.39 0.05 0.00 0.00 179.01 179.39 3lpe n GLU 75 N -4.41 0.24 -0.07 1.06 1.02 -0.42 -3.57 120.64 114.50 3lpe n GLU 75 Ca -0.03 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.28 3lpe n GLU 75 Cb 0.16 -1.85 -0.14 0.00 -0.02 0.00 0.00 31.44 29.59 3lpe n GLU 75 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3lpe n ILE 76 N -2.29 1.54 -0.31 -3.67 5.41 -0.34 -4.55 119.36 115.17 3lpe n ILE 76 Ca 0.04 -0.73 0.11 0.00 1.00 0.00 0.00 62.75 63.17 3lpe n ILE 76 Cb 0.35 -1.08 0.28 0.00 -0.71 0.00 0.00 39.64 38.48 3lpe n ILE 76 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3lpe h GLU 77 N 0.01 0.49 0.00 0.38 5.08 -1.43 0.22 114.58 119.33 3lpe h GLU 77 Ca -0.47 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 3lpe h GLU 77 Cb 2.07 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 3lpe h GLU 77 CO 0.02 0.32 -0.05 -1.35 -1.00 0.00 0.00 179.01 176.96 3lpe h PRO 78 N 0.50 0.00 0.00 2.33 0.11 -1.80 -0.53 132.00 132.61 3lpe h PRO 78 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3lpe h PRO 78 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3lpe h PRO 78 CO -0.46 0.05 0.00 -0.07 -0.21 0.00 0.00 178.00 177.31 3lpe h LEU 79 N 0.00 0.00 -0.40 2.35 3.38 -0.82 -3.27 115.31 116.55 3lpe h LEU 79 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3lpe h LEU 79 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3lpe h LEU 79 CO 0.01 0.00 -0.76 -0.07 0.09 0.00 0.00 178.44 177.71 3lpe h LEU 80 N 0.00 0.40 -7.46 1.67 4.07 -1.09 -3.33 115.31 109.57 3lpe h LEU 80 Ca 0.00 -0.28 -0.68 0.00 0.08 0.00 0.00 57.88 57.01 3lpe h LEU 80 Cb 0.57 -0.12 -0.37 0.00 1.08 0.00 0.00 40.66 41.82 3lpe h LEU 80 CO 0.00 1.02 -0.44 -0.89 -1.08 0.00 0.00 178.44 177.05 3lpe s THR 81 N -3.52 3.36 -0.43 0.22 2.01 -1.23 -5.16 115.64 110.88 3lpe s THR 81 Ca -0.05 -3.21 0.00 0.00 0.31 0.00 0.00 61.69 58.75 3lpe s THR 81 Cb 0.10 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3lpe s THR 81 CO 0.83 -0.87 0.11 -2.65 -0.69 0.00 0.00 174.62 171.35