#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 -2.29 0.00 1.44 -1.26 -5.14 115.22 107.97 3lpe n HIS 0 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3lpe n HIS 0 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3lpe n HIS 0 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3lpe s MET 1 N 0.00 4.40 -0.03 -1.40 1.00 -1.24 -4.93 119.30 117.10 3lpe s MET 1 Ca 0.00 1.94 0.03 0.00 0.00 0.00 0.00 55.69 57.66 3lpe s MET 1 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 34.83 31.57 3lpe s MET 1 CO 0.00 -0.29 -0.10 0.42 0.00 0.00 0.00 175.02 175.05 3lpe s ILE 2 N 0.71 0.88 0.05 2.53 1.01 -1.26 -1.30 121.20 123.81 3lpe s ILE 2 Ca 0.59 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.90 3lpe s ILE 2 Cb -0.34 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3lpe s ILE 2 CO 0.32 0.27 -0.20 -0.36 0.00 0.00 0.00 174.94 174.98 3lpe s PHE 3 N 0.17 1.74 -0.19 3.97 0.08 0.34 -0.53 117.98 123.55 3lpe s PHE 3 Ca -0.03 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 3lpe s PHE 3 Cb -0.09 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3lpe s PHE 3 CO 0.01 0.09 0.48 0.00 -0.10 0.00 0.00 175.22 175.70 3lpe s ALA 4 N -0.84 3.54 -0.21 5.36 0.00 -1.26 0.05 121.76 128.41 3lpe s ALA 4 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 3lpe s ALA 4 Cb -0.09 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3lpe s ALA 4 CO 0.02 -0.37 0.04 0.08 0.00 0.00 0.00 175.76 175.53 3lpe s VAL 5 N 1.47 4.36 0.03 0.00 1.01 0.98 -0.73 120.40 127.53 3lpe s VAL 5 Ca 0.23 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 3lpe s VAL 5 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3lpe s VAL 5 CO 0.09 0.41 0.82 -0.60 0.00 0.00 0.00 175.10 175.82 3lpe s ARG 6 N 0.98 4.53 0.41 2.72 3.52 0.26 -0.86 118.95 130.51 3lpe s ARG 6 Ca 0.03 1.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.81 3lpe s ARG 6 Cb -0.14 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 3lpe s ARG 6 CO 0.03 0.19 0.08 0.95 -0.81 0.00 0.00 175.30 175.74 3lpe s THR 7 N 0.24 0.89 0.38 4.11 -4.23 0.20 -1.06 115.64 116.18 3lpe s THR 7 Ca 0.42 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.66 3lpe s THR 7 Cb -0.21 -2.43 -0.09 0.00 1.34 0.00 0.00 72.50 71.12 3lpe s THR 7 CO 0.24 0.00 1.25 -0.04 -0.54 0.00 0.00 174.62 175.53 3lpe s MET 8 N -3.78 4.11 0.21 3.99 1.00 -0.77 -4.58 119.30 119.48 3lpe s MET 8 Ca 0.23 2.04 -0.31 0.00 0.00 0.00 0.00 55.69 57.65 3lpe s MET 8 Cb 0.04 -2.82 -0.10 0.00 0.00 0.00 0.00 34.83 31.95 3lpe s MET 8 CO 0.12 -0.33 1.52 0.08 0.00 0.00 0.00 175.02 176.41 3lpe s VAL 9 N -1.28 2.59 0.00 -6.03 1.01 -1.26 -1.79 120.40 113.64 3lpe s VAL 9 Ca 0.55 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3lpe s VAL 9 Cb -0.36 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3lpe s VAL 9 CO 0.46 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3lpe n GLY 10 N 3.06 2.21 1.58 4.51 0.00 -1.26 -4.88 105.19 110.42 3lpe n GLY 10 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 3.77 0.29 1.61 1.13 -0.74 -4.71 117.38 116.73 3lpe n GLN 11 Ca 0.00 -2.90 -0.16 0.00 -1.94 0.00 0.00 57.00 52.00 3lpe n GLN 11 Cb 0.00 -1.90 -0.08 0.00 0.11 0.00 0.00 30.24 28.36 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 4.05 -0.68 -0.76 -1.09 3.07 -1.90 -0.81 114.58 116.46 3lpe h GLU 12 Ca 0.00 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 3lpe h GLU 12 Cb 1.47 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 29.50 3lpe h GLU 12 CO 0.24 -0.41 0.29 0.87 -1.40 0.00 0.00 179.01 178.61 3lpe h LYS 13 N -0.81 1.14 -0.32 2.33 1.57 -1.92 -0.99 116.57 117.56 3lpe h LYS 13 Ca -0.07 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3lpe h LYS 13 Cb 0.59 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3lpe h LYS 13 CO 0.12 0.94 -0.01 -0.91 -0.57 0.00 0.00 179.45 179.01 3lpe h ASN 14 N 1.10 -0.15 -0.32 0.86 2.35 -1.85 -1.68 115.58 115.90 3lpe h ASN 14 Ca 0.25 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.98 3lpe h ASN 14 Cb 0.23 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3lpe h ASN 14 CO -0.02 -0.04 -0.16 0.40 -1.65 0.00 0.00 177.43 175.96 3lpe h ILE 15 N 0.08 1.26 -0.94 2.81 2.04 -0.80 -2.08 117.51 119.89 3lpe h ILE 15 Ca 0.15 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.84 3lpe h ILE 15 Cb 0.21 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3lpe h ILE 15 CO -0.27 0.42 0.61 0.00 0.00 0.00 0.00 178.15 178.91 3lpe h ALA 16 N 1.14 1.47 -0.15 1.87 0.00 -0.79 0.12 119.26 122.92 3lpe h ALA 16 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3lpe h ALA 16 Cb 0.65 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lpe h ALA 16 CO 0.05 0.39 -0.09 0.78 0.00 0.00 0.00 179.25 180.38 3lpe h GLY 17 N 1.09 0.36 0.88 0.00 0.00 -0.88 -1.36 103.07 103.15 3lpe h GLY 17 Ca 0.40 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.44 3lpe h GLY 17 CO -0.15 0.30 0.64 1.41 0.00 0.00 0.00 176.54 178.73 3lpe h LEU 18 N -0.01 1.06 -0.48 3.11 3.38 -1.06 -2.54 115.31 118.77 3lpe h LEU 18 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3lpe h LEU 18 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3lpe h LEU 18 CO 0.02 0.73 0.29 0.24 0.09 0.00 0.00 178.44 179.81 3lpe h MET 19 N 1.23 0.65 -0.48 1.13 2.86 -0.58 -1.33 114.93 118.42 3lpe h MET 19 Ca 0.39 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 3lpe h MET 19 Cb -0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3lpe h MET 19 CO -0.12 0.48 0.13 0.00 1.06 0.00 0.00 176.91 178.46 3lpe h ALA 20 N 1.13 0.64 -0.13 6.32 0.00 -1.03 0.14 119.26 126.33 3lpe h ALA 20 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3lpe h ALA 20 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3lpe h ALA 20 CO -0.03 0.31 0.06 0.77 0.00 0.00 0.00 179.25 180.36 3lpe h SER 21 N 0.65 0.10 -0.27 0.00 0.02 -1.34 -2.24 113.55 110.47 3lpe h SER 21 Ca 0.15 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3lpe h SER 21 Cb 0.31 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3lpe h SER 21 CO -0.00 0.08 -0.12 -0.09 -1.14 0.00 0.00 176.83 175.55 3lpe h ARG 22 N 0.14 0.68 -0.38 3.45 2.43 -0.89 -0.96 114.38 118.85 3lpe h ARG 22 Ca 0.05 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3lpe h ARG 22 Cb 0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3lpe h ARG 22 CO -0.03 0.78 0.24 0.00 -1.51 0.00 0.00 179.97 179.45 3lpe h ALA 23 N 1.25 0.49 -0.05 2.80 0.00 -0.51 0.41 119.26 123.64 3lpe h ALA 23 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3lpe h ALA 23 Cb 0.57 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3lpe h ALA 23 CO 0.04 -0.03 -0.02 0.93 0.00 0.00 0.00 179.25 180.16 3lpe h GLU 24 N 0.51 0.11 -0.61 0.00 5.08 -1.15 -0.28 114.58 118.25 3lpe h GLU 24 Ca 0.14 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3lpe h GLU 24 Cb -0.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3lpe h GLU 24 CO -0.03 0.49 0.39 0.87 -1.00 0.00 0.00 179.01 179.74 3lpe h LYS 25 N -0.28 0.77 -0.05 2.33 6.56 -1.07 -2.59 116.57 122.25 3lpe h LYS 25 Ca 0.01 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3lpe h LYS 25 Cb 0.46 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 3lpe h LYS 25 CO 0.01 0.51 0.00 0.39 -2.06 0.00 0.00 179.45 178.30 3lpe n GLU 26 N -4.68 1.65 -3.75 3.15 -0.58 0.12 -4.95 120.64 111.60 3lpe n GLU 26 Ca 0.05 -0.95 -0.23 0.00 -0.42 0.00 0.00 57.16 55.61 3lpe n GLU 26 Cb 0.03 -1.46 0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.15 -5.13 -3.03 3.49 6.02 -0.24 -4.97 117.38 113.68 3lpe n GLN 27 Ca 0.19 0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 57.47 3lpe n GLN 27 Cb 0.34 -5.27 -0.06 0.00 1.02 0.00 0.00 30.24 26.27 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 -6.83 3.99 -1.54 1.08 1.43 -0.49 -4.96 118.68 111.37 3lpe s LEU 28 Ca 0.17 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 3lpe s LEU 28 Cb -0.08 -4.15 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 3lpe s LEU 28 CO 0.81 -0.27 2.75 0.47 0.23 0.00 0.00 176.35 180.35 3lpe n ASP 29 N -0.59 7.46 -4.46 2.29 8.00 -1.26 -4.85 116.55 123.15 3lpe n ASP 29 Ca 0.04 -2.62 -0.34 0.00 0.71 0.00 0.00 54.79 52.58 3lpe n ASP 29 Cb 0.53 -1.55 -0.13 0.00 -0.02 0.00 0.00 41.12 39.96 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 2.49 3.82 -0.14 2.53 1.01 -1.26 -1.52 120.40 127.32 3lpe s VAL 30 Ca 0.63 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.33 3lpe s VAL 30 Cb 0.17 -2.69 -0.15 0.00 0.00 0.00 0.00 36.38 33.71 3lpe s VAL 30 CO -0.06 0.47 -0.01 -1.22 0.00 0.00 0.00 175.10 174.28 3lpe n TYR 31 N 3.84 0.00 -3.60 5.22 4.01 0.56 -4.99 117.16 122.20 3lpe n TYR 31 Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.46 3lpe n TYR 31 Cb 0.52 -0.64 -0.04 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 -4.88 -0.32 -0.03 7.72 1.04 -1.17 -5.01 113.70 111.06 3lpe s SER 32 Ca -0.11 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3lpe s SER 32 Cb 0.04 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3lpe s SER 32 CO 0.50 -0.92 -0.01 -0.63 0.98 0.00 0.00 173.24 173.16 3lpe s ILE 33 N -3.80 0.23 -0.10 -1.02 1.01 -1.26 -1.03 121.20 115.22 3lpe s ILE 33 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3lpe s ILE 33 Cb 0.01 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.20 3lpe s ILE 33 CO -0.11 0.14 -0.12 -0.22 0.00 0.00 0.00 174.94 174.64 3lpe s LEU 34 N 0.83 1.53 -0.31 2.97 2.96 0.41 -4.97 118.68 122.11 3lpe s LEU 34 Ca -0.09 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3lpe s LEU 34 Cb -0.12 -0.94 0.09 0.00 0.50 0.00 0.00 46.19 45.72 3lpe s LEU 34 CO -0.01 -0.02 0.01 0.00 -1.32 0.00 0.00 176.35 175.01 3lpe s ALA 35 N 1.13 2.55 -0.07 5.97 0.00 -1.26 -0.88 121.76 129.20 3lpe s ALA 35 Ca -0.05 -2.14 -0.12 0.00 0.00 0.00 0.00 51.96 49.66 3lpe s ALA 35 Cb -0.14 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 3lpe s ALA 35 CO -0.03 -1.53 0.29 0.45 0.00 0.00 0.00 175.76 174.94 3lpe s SER 36 N 1.09 6.59 0.62 0.00 0.15 -1.26 -4.95 113.70 115.93 3lpe s SER 36 Ca 0.05 0.70 0.40 0.00 0.70 0.00 0.00 55.95 57.80 3lpe s SER 36 Cb -0.19 -2.17 1.97 0.00 -1.71 0.00 0.00 66.02 63.92 3lpe s SER 36 CO -0.09 0.32 2.21 -0.33 1.20 0.00 0.00 173.24 176.54 3lpe h GLU 37 N 5.15 0.00 -0.40 5.44 4.39 -1.98 -1.34 114.58 125.83 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 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.35 3lpe n SER 38 N -3.10 2.33 -3.32 1.42 3.41 -1.26 -4.34 113.62 108.76 3lpe n SER 38 Ca -0.01 -1.96 -0.25 0.00 -0.26 0.00 0.00 58.87 56.38 3lpe n SER 38 Cb 0.17 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 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 0.77 0.60 -4.77 1.04 7.94 -0.51 -5.12 117.00 116.95 3lpe n LEU 39 Ca 0.15 -4.73 -0.39 0.00 -1.11 0.00 0.00 56.01 49.94 3lpe n LEU 39 Cb 0.38 0.37 -0.03 0.00 0.53 0.00 0.00 43.42 44.67 3lpe n LEU 39 CO 0.11 1.99 0.80 -0.54 -1.11 0.00 0.00 177.39 178.64 3lpe s LYS 40 N -1.01 4.31 0.00 1.96 1.02 -1.26 -3.41 119.74 121.34 3lpe s LYS 40 Ca 0.34 1.75 0.00 0.00 0.02 0.00 0.00 55.97 58.09 3lpe s LYS 40 Cb 0.12 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3lpe s LYS 40 CO -0.13 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 3lpe n GLY 41 N 0.77 0.61 3.01 -3.33 0.00 -1.26 -4.98 105.19 100.01 3lpe n GLY 41 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.11 0.06 -0.03 1.61 1.51 -1.22 0.63 117.35 117.80 3lpe s TYR 42 Ca 0.00 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3lpe s TYR 42 Cb 0.00 -0.07 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 3lpe s TYR 42 CO 0.00 -0.17 -0.18 0.08 -1.11 0.00 0.00 175.55 174.17 3lpe s VAL 43 N -0.89 1.44 -0.15 0.71 1.01 -0.04 -4.68 120.40 117.80 3lpe s VAL 43 Ca -0.10 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 3lpe s VAL 43 Cb -0.06 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3lpe s VAL 43 CO 0.00 0.41 0.27 -0.76 0.00 0.00 0.00 175.10 175.02 3lpe s LEU 44 N -0.24 4.27 -0.18 3.92 1.43 -0.06 -0.01 118.68 127.81 3lpe s LEU 44 Ca 0.03 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3lpe s LEU 44 Cb -0.09 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.84 3lpe s LEU 44 CO 0.00 0.16 -0.12 -0.69 0.23 0.00 0.00 176.35 175.94 3lpe s VAL 45 N 0.18 1.62 -0.27 -1.59 1.01 0.11 -0.44 120.40 121.02 3lpe s VAL 45 Ca 0.16 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3lpe s VAL 45 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3lpe s VAL 45 CO 0.04 0.27 0.52 -0.70 0.00 0.00 0.00 175.10 175.23 3lpe s GLU 46 N 1.43 4.04 0.14 2.72 2.12 -0.20 -0.50 118.70 128.44 3lpe s GLU 46 Ca 0.01 0.30 -0.08 0.00 0.36 0.00 0.00 54.97 55.56 3lpe s GLU 46 Cb -0.15 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 3lpe s GLU 46 CO -0.09 -0.38 0.24 0.00 -0.54 0.00 0.00 175.26 174.49 3lpe s ALA 47 N 2.33 -0.02 0.16 6.30 0.00 -0.42 -0.32 121.76 129.78 3lpe s ALA 47 Ca 0.21 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 3lpe s ALA 47 Cb -0.16 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 3lpe s ALA 47 CO 0.09 -0.59 1.54 1.49 0.00 0.00 0.00 175.76 178.29 3lpe h GLU 48 N 2.63 1.00 -4.33 0.00 4.57 -1.55 -3.30 114.58 113.61 3lpe h GLU 48 Ca -0.33 -0.44 -0.15 0.00 -1.18 0.00 0.00 59.36 57.26 3lpe h GLU 48 Cb 1.22 -0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 29.63 3lpe h GLU 48 CO 0.52 1.12 -0.65 0.95 -1.18 0.00 0.00 179.01 179.77 3lpe s THR 49 N -4.63 0.15 0.29 0.32 -4.23 -1.26 -4.70 115.64 101.58 3lpe s THR 49 Ca -0.11 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3lpe s THR 49 Cb 0.12 -1.82 0.10 0.00 1.34 0.00 0.00 72.50 72.24 3lpe s THR 49 CO 0.87 -0.68 1.77 0.50 -0.54 0.00 0.00 174.62 176.55 3lpe h LYS 50 N 2.97 0.54 -0.59 3.99 3.64 -1.99 -2.70 116.57 122.44 3lpe h LYS 50 Ca -0.35 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 58.92 3lpe h LYS 50 Cb 1.18 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3lpe h LYS 50 CO 0.61 0.67 0.39 0.78 -2.27 0.00 0.00 179.45 179.63 3lpe h GLY 51 N 0.95 0.73 0.99 5.01 0.00 -1.99 0.02 103.07 108.78 3lpe h GLY 51 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3lpe h GLY 51 CO 0.03 0.20 0.47 -0.55 0.00 0.00 0.00 176.54 176.69 3lpe h ASP 52 N 0.61 0.82 -0.29 0.19 3.32 -1.86 -0.98 116.42 118.23 3lpe h ASP 52 Ca 0.25 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 3lpe h ASP 52 Cb 0.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3lpe h ASP 52 CO -0.07 0.59 -0.36 0.58 -1.72 0.00 0.00 179.24 178.25 3lpe h VAL 53 N 0.96 1.28 -0.49 -1.35 2.07 -1.11 0.03 116.25 117.64 3lpe h VAL 53 Ca 0.27 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3lpe h VAL 53 Cb -0.09 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3lpe h VAL 53 CO -0.06 0.51 0.32 -0.33 0.02 0.00 0.00 177.57 178.02 3lpe h GLU 54 N 0.68 0.65 -0.34 1.57 4.39 -0.79 -1.43 114.58 119.31 3lpe h GLU 54 Ca 0.06 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3lpe h GLU 54 Cb 0.93 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3lpe h GLU 54 CO 0.09 0.44 -0.24 1.49 -1.16 0.00 0.00 179.01 179.63 3lpe h GLU 55 N 0.66 0.68 -0.44 2.33 4.57 -1.05 -1.67 114.58 119.66 3lpe h GLU 55 Ca 0.18 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3lpe h GLU 55 Cb -0.06 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3lpe h GLU 55 CO -0.04 0.86 0.24 1.25 -1.18 0.00 0.00 179.01 180.14 3lpe h LEU 56 N 0.60 0.37 -0.54 1.64 5.85 -0.37 -2.90 115.31 119.95 3lpe h LEU 56 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3lpe h LEU 56 Cb 0.72 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3lpe h LEU 56 CO 0.06 0.26 -0.33 2.30 -0.34 0.00 0.00 178.44 180.39 3lpe n ILE 57 N -4.87 0.00 -1.58 4.05 -5.35 -0.59 -4.83 119.36 106.18 3lpe n ILE 57 Ca 0.02 -0.14 -0.51 0.00 -0.27 0.00 0.00 62.75 61.85 3lpe n ILE 57 Cb 0.09 0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 38.48 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 -0.61 1.46 -0.94 6.28 4.81 -0.64 -0.45 118.16 128.07 3lpe n LYS 58 Ca 0.11 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3lpe n LYS 58 Cb 0.37 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.94 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 5.36 0.56 3.69 3.14 0.00 -1.26 -4.99 105.19 111.69 3lpe n GLY 59 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.37 4.36 0.62 1.61 1.75 0.40 -5.00 119.30 122.67 3lpe s MET 60 Ca 0.00 1.71 -0.18 0.00 -1.25 0.00 0.00 55.69 55.97 3lpe s MET 60 Cb 0.00 -3.52 -0.03 0.00 2.84 0.00 0.00 34.83 34.12 3lpe s MET 60 CO 0.00 -0.42 1.25 -2.14 -0.65 0.00 0.00 175.02 173.06 3lpe s PRO 61 N 2.01 2.79 -0.14 4.11 0.02 -1.26 -3.44 135.00 139.09 3lpe s PRO 61 Ca 0.57 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3lpe s PRO 61 Cb -0.26 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3lpe s PRO 61 CO 0.24 -1.37 0.00 0.54 -0.33 0.00 0.00 177.00 176.07 3lpe n ARG 62 N -1.72 -0.75 -4.40 5.54 1.74 -1.26 -4.99 116.66 110.81 3lpe n ARG 62 Ca 0.15 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 57.18 3lpe n ARG 62 Cb 0.49 -3.92 -0.12 0.00 -1.02 0.00 0.00 32.46 27.89 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 -1.72 3.93 -0.10 1.55 1.01 -1.22 -1.85 120.40 122.01 3lpe s VAL 63 Ca 0.00 -0.35 0.14 0.00 0.00 0.00 0.00 61.98 61.78 3lpe s VAL 63 Cb 0.00 -2.71 -0.24 0.00 0.00 0.00 0.00 36.38 33.43 3lpe s VAL 63 CO 0.00 0.50 0.47 -1.14 0.00 0.00 0.00 175.10 174.93 3lpe n ARG 64 N 3.38 0.65 -2.69 2.72 3.00 -0.22 -4.98 116.66 118.53 3lpe n ARG 64 Ca -0.17 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3lpe n ARG 64 Cb 0.53 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 31.28 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 1.62 -0.36 3.46 5.14 0.00 -1.23 -4.99 105.19 108.82 3lpe n GLY 65 Ca -0.22 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.80 3.51 0.29 -0.61 1.01 -1.26 -0.57 121.20 120.77 3lpe s ILE 66 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 3lpe s ILE 66 Cb 0.00 -2.50 -0.11 0.00 0.01 0.00 0.00 42.46 39.87 3lpe s ILE 66 CO 0.00 0.52 1.47 -0.69 0.00 0.00 0.00 174.94 176.24 3lpe s VAL 67 N 0.15 2.42 0.33 2.92 1.01 0.09 -4.95 120.40 122.37 3lpe s VAL 67 Ca -0.04 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 3lpe s VAL 67 Cb -0.14 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 3lpe s VAL 67 CO 0.04 0.07 1.37 -2.84 0.00 0.00 0.00 175.10 173.74 3lpe s PRO 68 N -0.91 4.28 0.00 2.72 0.02 -1.26 -4.63 135.00 135.22 3lpe s PRO 68 Ca 0.58 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3lpe s PRO 68 Cb -0.44 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3lpe s PRO 68 CO 0.49 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.26 3lpe n GLY 69 N 0.94 -0.93 3.86 0.52 0.00 -1.26 -4.99 105.19 103.34 3lpe n GLY 69 Ca 0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.16 3.88 -0.17 2.61 -4.23 -1.26 -4.71 115.64 108.60 3lpe s THR 70 Ca 0.00 0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 61.07 3lpe s THR 70 Cb 0.00 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 3lpe s THR 70 CO 0.00 -0.80 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.64 3lpe s ILE 71 N -3.25 4.12 0.35 2.99 -1.09 0.31 -4.99 121.20 119.64 3lpe s ILE 71 Ca 0.57 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 58.46 3lpe s ILE 71 Cb -0.12 -2.83 -0.09 0.00 -1.58 0.00 0.00 42.46 37.85 3lpe s ILE 71 CO 0.53 0.48 1.09 0.00 -1.23 0.00 0.00 174.94 175.81 3lpe s ALA 72 N 0.41 3.22 0.35 9.38 0.00 -1.26 -4.29 121.76 129.58 3lpe s ALA 72 Ca -0.02 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.84 3lpe s ALA 72 Cb -0.14 -3.31 0.81 0.00 0.00 0.00 0.00 23.12 20.48 3lpe s ALA 72 CO 0.02 -0.24 1.87 0.97 0.00 0.00 0.00 175.76 178.38 3lpe h ILE 73 N 2.57 0.84 0.00 0.00 6.09 -1.99 -0.23 117.51 124.79 3lpe h ILE 73 Ca -0.48 -0.24 -0.00 0.00 -1.37 0.00 0.00 64.86 62.77 3lpe h ILE 73 Cb 1.22 0.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.58 3lpe h ILE 73 CO 0.64 0.13 -0.01 1.05 -3.07 0.00 0.00 178.15 176.89 3lpe h GLU 74 N 0.70 0.00 0.00 2.19 9.09 -2.02 -0.77 114.58 123.77 3lpe h GLU 74 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 3lpe h GLU 74 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3lpe h GLU 74 CO -0.21 0.01 0.00 0.39 0.05 0.00 0.00 179.01 179.26 3lpe n GLU 75 N -4.33 0.22 -0.06 1.06 1.02 -0.10 -3.61 120.64 114.85 3lpe n GLU 75 Ca -0.03 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.20 3lpe n GLU 75 Cb 0.10 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.60 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 -2.17 1.55 -0.28 -3.67 5.41 -0.35 -4.56 119.36 115.29 3lpe n ILE 76 Ca 0.05 -0.73 0.07 0.00 1.00 0.00 0.00 62.75 63.14 3lpe n ILE 76 Cb 0.39 -1.10 0.22 0.00 -0.71 0.00 0.00 39.64 38.44 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 0.02 0.51 0.00 0.38 5.08 -1.47 0.21 114.58 119.30 3lpe h GLU 77 Ca -0.46 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3lpe h GLU 77 Cb 2.06 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 3lpe h GLU 77 CO 0.03 0.34 -0.01 -1.35 -1.00 0.00 0.00 179.01 177.01 3lpe h PRO 78 N 0.52 0.00 0.00 2.33 0.11 -1.80 -0.67 132.00 132.50 3lpe h PRO 78 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3lpe h PRO 78 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3lpe h PRO 78 CO -0.40 0.01 0.00 -0.07 -0.21 0.00 0.00 178.00 177.33 3lpe h LEU 79 N 0.00 0.00 -0.46 2.35 3.38 -0.86 -3.28 115.31 116.44 3lpe h LEU 79 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3lpe h LEU 79 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3lpe h LEU 79 CO 0.00 0.00 -0.70 -0.07 0.09 0.00 0.00 178.44 177.76 3lpe h LEU 80 N 0.00 0.41 -7.46 1.67 4.07 -1.13 -3.33 115.31 109.55 3lpe h LEU 80 Ca 0.00 -0.27 -0.67 0.00 0.08 0.00 0.00 57.88 57.02 3lpe h LEU 80 Cb 0.63 -0.12 -0.38 0.00 1.08 0.00 0.00 40.66 41.87 3lpe h LEU 80 CO 0.00 0.99 -0.46 -0.89 -1.08 0.00 0.00 178.44 177.00 3lpe s THR 81 N -3.63 3.26 -0.43 0.22 2.01 -1.24 -5.16 115.64 110.67 3lpe s THR 81 Ca -0.05 -3.22 0.00 0.00 0.31 0.00 0.00 61.69 58.73 3lpe s THR 81 Cb 0.11 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3lpe s THR 81 CO 0.83 -0.86 0.11 -2.65 -0.69 0.00 0.00 174.62 171.35