#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgn s ASP 3 N 0.00 -1.23 -0.43 0.00 -4.77 -1.26 -5.07 116.67 103.91 1dgn s ASP 3 Ca 0.00 -0.18 0.08 0.00 -3.30 0.00 0.00 52.55 49.14 1dgn s ASP 3 Cb 0.00 1.68 0.28 0.00 -1.09 0.00 0.00 42.92 43.79 1dgn s ASP 3 CO 0.00 -0.19 0.80 0.00 0.70 0.00 0.00 175.17 176.48 1dgn n GLN 4 N 4.83 0.85 0.31 2.11 1.13 -1.26 -5.01 117.38 120.34 1dgn n GLN 4 Ca 0.08 -2.55 -0.16 0.00 -1.94 0.00 0.00 57.00 52.43 1dgn n GLN 4 Cb 0.57 -1.35 -0.08 0.00 0.11 0.00 0.00 30.24 29.48 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1dgn h LEU 5 N 3.59 -0.65 -0.09 1.08 6.46 -2.00 -2.87 115.31 120.83 1dgn h LEU 5 Ca -0.02 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1dgn h LEU 5 Cb 0.99 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 1dgn h LEU 5 CO 0.36 -0.39 -0.51 -0.07 -0.62 0.00 0.00 178.44 177.21 1dgn h LEU 6 N -0.88 -1.61 -0.99 2.25 -0.00 -1.94 0.16 115.31 112.30 1dgn h LEU 6 Ca -0.08 0.19 0.14 0.00 -0.00 0.00 0.00 57.88 58.13 1dgn h LEU 6 Cb 0.63 0.63 -0.15 0.00 -0.00 0.00 0.00 40.66 41.77 1dgn h LEU 6 CO 0.13 -0.49 -0.44 -1.14 -0.00 0.00 0.00 178.44 176.50 1dgn n ARG 7 N -5.45 -0.29 -0.03 1.13 0.00 -1.22 0.26 116.66 111.06 1dgn n ARG 7 Ca -0.06 1.52 -0.11 0.00 -0.00 0.00 0.00 57.85 59.20 1dgn n ARG 7 Cb 0.38 -2.25 -0.06 0.00 0.00 0.00 0.00 32.46 30.54 1dgn n ARG 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1dgn h LYS 8 N 0.00 0.20 -0.15 -0.14 1.57 -1.18 -2.40 116.57 114.47 1dgn h LYS 8 Ca 0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1dgn h LYS 8 Cb 0.54 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1dgn h LYS 8 CO -0.97 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 179.85 1dgn n LYS 9 N -4.88 1.18 -0.21 3.15 4.76 0.51 -3.94 118.16 118.73 1dgn n LYS 9 Ca -0.05 -0.26 -0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1dgn n LYS 9 Cb 0.12 -1.10 0.23 0.00 -1.84 0.00 0.00 35.03 32.44 1dgn n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1dgn h ARG 10 N 0.40 0.98 0.00 1.97 1.12 0.41 0.64 114.38 119.90 1dgn h ARG 10 Ca 0.00 -0.08 -0.15 0.00 -1.11 0.00 0.00 59.98 58.64 1dgn h ARG 10 Cb 0.15 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 1dgn h ARG 10 CO 0.00 0.68 -0.72 0.07 -3.11 0.00 0.00 179.97 176.89 1dgn h ARG 11 N 1.00 0.00 0.02 0.20 0.11 -1.78 -2.96 114.38 110.96 1dgn h ARG 11 Ca 0.26 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.34 1dgn h ARG 11 Cb -0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.02 1dgn h ARG 11 CO -0.05 0.72 -0.01 0.82 0.10 0.00 0.00 179.97 181.55 1dgn h ILE 12 N 0.00 0.00 -0.68 0.08 2.04 -1.62 -2.98 117.51 114.35 1dgn h ILE 12 Ca -0.01 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 65.84 1dgn h ILE 12 Cb 1.39 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.34 1dgn h ILE 12 CO 0.09 0.00 -0.19 0.15 0.00 0.00 0.00 178.15 178.20 1dgn h PHE 13 N -0.17 -0.42 -0.19 1.37 3.57 -1.07 -1.00 116.94 119.02 1dgn h PHE 13 Ca -0.00 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1dgn h PHE 13 Cb 0.02 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1dgn h PHE 13 CO 0.02 -0.31 -0.01 0.97 -2.23 0.00 0.00 178.31 176.76 1dgn h ILE 14 N -0.02 0.86 -1.48 1.41 2.10 -1.69 -1.08 117.51 117.60 1dgn h ILE 14 Ca 0.32 -0.02 -0.71 0.00 1.08 0.00 0.00 64.86 65.54 1dgn h ILE 14 Cb 0.51 0.80 -0.19 0.00 -1.09 0.00 0.00 36.82 36.85 1dgn h ILE 14 CO -0.71 0.01 1.50 1.41 -1.08 0.00 0.00 178.15 179.28 1dgn n HIS 15 N -5.14 2.46 0.00 2.19 8.25 -0.40 -4.03 115.22 118.54 1dgn n HIS 15 Ca -0.03 -2.51 0.00 0.00 -0.26 0.00 0.00 57.72 54.92 1dgn n HIS 15 Cb 0.11 -1.52 0.00 0.00 1.12 0.00 0.00 29.99 29.70 1dgn n HIS 15 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1dgn n SER 16 N 0.87 0.00 -4.73 0.41 7.64 -1.07 -4.86 113.62 111.87 1dgn n SER 16 Ca 0.55 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 60.01 1dgn n SER 16 Cb 0.32 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 1dgn n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dgn s VAL 17 N -0.59 2.92 0.25 0.44 0.11 -0.42 -5.01 120.40 118.09 1dgn s VAL 17 Ca 0.00 0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 59.71 1dgn s VAL 17 Cb 0.00 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.32 1dgn s VAL 17 CO 0.00 0.10 0.54 -0.83 -3.33 0.00 0.00 175.10 171.58 1dgn s GLY 18 N 0.56 2.12 0.59 6.54 0.00 -1.26 -4.94 107.32 110.93 1dgn s GLY 18 Ca 0.61 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 45.15 1dgn s GLY 18 CO 0.38 -0.27 1.65 0.00 0.00 0.00 0.00 173.10 174.86 1dgn h ALA 19 N 2.24 1.40 0.07 3.20 0.00 -1.98 -2.23 119.26 121.97 1dgn h ALA 19 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1dgn h ALA 19 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1dgn h ALA 19 CO 0.68 -0.40 -0.04 0.78 0.00 0.00 0.00 179.25 180.27 1dgn h GLY 20 N 0.00 -0.10 -0.35 0.00 0.00 -2.02 -3.31 103.07 97.30 1dgn h GLY 20 Ca 0.00 0.04 0.30 0.00 0.00 0.00 0.00 47.33 47.67 1dgn h GLY 20 CO 0.00 -0.04 0.67 -0.84 0.00 0.00 0.00 176.54 176.34 1dgn h THR 21 N -0.76 0.43 0.09 4.70 2.02 -1.78 -1.00 112.91 116.62 1dgn h THR 21 Ca -0.01 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1dgn h THR 21 Cb 0.08 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.47 1dgn h THR 21 CO 0.02 0.07 -0.38 0.40 0.37 0.00 0.00 175.52 175.99 1dgn h ILE 22 N 0.37 0.22 -0.97 3.11 2.04 -1.62 0.74 117.51 121.40 1dgn h ILE 22 Ca 0.66 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.63 1dgn h ILE 22 Cb 1.65 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1dgn h ILE 22 CO -0.39 0.00 0.60 -1.13 0.00 0.00 0.00 178.15 177.23 1dgn h ASN 23 N -0.60 0.89 1.02 1.72 -0.73 -1.27 0.20 115.58 116.81 1dgn h ASN 23 Ca 0.03 0.04 -0.11 0.00 1.87 0.00 0.00 56.30 58.14 1dgn h ASN 23 Cb 0.64 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1dgn h ASN 23 CO -0.24 0.49 -0.52 0.00 -0.37 0.00 0.00 177.43 176.79 1dgn h ALA 24 N 1.51 0.82 0.17 1.57 0.00 -1.14 -2.92 119.26 119.28 1dgn h ALA 24 Ca 0.47 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dgn h ALA 24 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dgn h ALA 24 CO -0.25 0.64 -0.08 1.25 0.00 0.00 0.00 179.25 180.81 1dgn h LEU 25 N 0.00 -0.20 -1.86 0.00 7.12 0.20 -2.99 115.31 117.58 1dgn h LEU 25 Ca -0.01 -0.14 0.09 0.00 0.13 0.00 0.00 57.88 57.96 1dgn h LEU 25 Cb 1.17 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 1dgn h LEU 25 CO 0.07 0.33 0.29 0.17 -0.13 0.00 0.00 178.44 179.16 1dgn h LEU 26 N -1.03 0.15 -0.46 2.25 8.10 -1.15 -0.68 115.31 122.50 1dgn h LEU 26 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.93 1dgn h LEU 26 Cb 0.32 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.49 1dgn h LEU 26 CO 0.04 0.09 0.14 -0.78 -4.11 0.00 0.00 178.44 173.82 1dgn h ASP 27 N 0.17 0.67 -0.61 0.17 3.58 -1.59 -2.86 116.42 115.94 1dgn h ASP 27 Ca 0.19 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1dgn h ASP 27 Cb 0.54 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1dgn h ASP 27 CO -0.03 0.70 0.29 0.00 -2.88 0.00 0.00 179.24 177.33 1dgn h LEU 29 N 0.84 0.02 -0.94 0.00 3.38 -1.17 0.27 115.31 117.71 1dgn h LEU 29 Ca 0.21 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1dgn h LEU 29 Cb 0.12 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1dgn h LEU 29 CO -0.03 -0.05 0.62 -0.07 0.09 0.00 0.00 178.44 179.00 1dgn h LEU 30 N 0.27 1.07 -0.81 1.67 3.38 -1.36 -1.28 115.31 118.26 1dgn h LEU 30 Ca 0.44 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.58 1dgn h LEU 30 Cb 0.77 -0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.13 1dgn h LEU 30 CO -0.53 0.78 0.16 -0.08 0.09 0.00 0.00 178.44 178.85 1dgn h GLU 31 N 1.27 0.20 0.00 1.13 4.22 -0.33 1.02 114.58 122.08 1dgn h GLU 31 Ca 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.77 1dgn h GLU 31 Cb -0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1dgn h GLU 31 CO -0.08 0.13 -0.08 -0.44 -2.18 0.00 0.00 179.01 176.37 1dgn h ASP 32 N 0.20 0.00 -4.18 1.04 3.32 -1.25 -3.47 116.42 112.08 1dgn h ASP 32 Ca 0.48 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 57.21 1dgn h ASP 32 Cb 0.90 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.53 1dgn h ASP 32 CO -0.62 0.01 -0.49 -0.62 -1.72 0.00 0.00 179.24 175.80 1dgn n GLU 33 N -2.62 -5.10 0.08 3.56 -0.58 0.35 -4.93 120.64 111.40 1dgn n GLU 33 Ca 0.05 0.65 -0.21 0.00 -0.42 0.00 0.00 57.16 57.23 1dgn n GLU 33 Cb 0.48 -5.07 -0.12 0.00 -0.57 0.00 0.00 31.44 26.16 1dgn n GLU 33 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1dgn h VAL 34 N -1.65 1.30 -3.47 2.62 3.04 -1.78 -3.46 116.25 112.86 1dgn h VAL 34 Ca -0.42 -2.44 -0.51 0.00 -1.01 0.00 0.00 66.70 62.32 1dgn h VAL 34 Cb 1.28 2.62 -0.00 0.00 -2.01 0.00 0.00 31.29 33.18 1dgn h VAL 34 CO 0.43 0.74 -0.00 0.27 -1.01 0.00 0.00 177.57 177.99 1dgn s ILE 35 N -3.06 4.89 0.09 3.17 -4.36 -1.26 -5.02 121.20 115.66 1dgn s ILE 35 Ca -0.09 0.37 -0.02 0.00 -0.26 0.00 0.00 60.65 60.64 1dgn s ILE 35 Cb 0.06 -3.73 -0.05 0.00 1.25 0.00 0.00 42.46 40.00 1dgn s ILE 35 CO 0.93 -0.42 0.29 -0.44 0.24 0.00 0.00 174.94 175.53 1dgn s SER 36 N -3.13 6.42 0.52 4.36 0.01 -1.26 -4.88 113.70 115.74 1dgn s SER 36 Ca 0.48 0.42 0.43 0.00 1.31 0.00 0.00 55.95 58.59 1dgn s SER 36 Cb -0.10 -2.02 1.63 0.00 0.21 0.00 0.00 66.02 65.73 1dgn s SER 36 CO 0.30 0.12 1.62 -0.61 0.41 0.00 0.00 173.24 175.09 1dgn h GLN 37 N 3.01 0.02 -0.39 12.44 5.75 -1.98 1.63 115.11 135.59 1dgn h GLN 37 Ca -0.46 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.93 1dgn h GLN 37 Cb 1.16 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1dgn h GLN 37 CO 0.74 0.01 -0.20 0.93 -2.65 0.00 0.00 178.83 177.67 1dgn h GLU 38 N 0.02 0.82 -0.16 1.69 5.08 -2.00 -2.57 114.58 117.46 1dgn h GLU 38 Ca 0.85 -0.36 -0.14 0.00 -1.00 0.00 0.00 59.36 58.71 1dgn h GLU 38 Cb 3.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.46 1dgn h GLU 38 CO -0.13 0.99 -0.45 -0.44 -1.00 0.00 0.00 179.01 177.99 1dgn h ASP 39 N 0.62 0.68 -0.22 1.42 5.19 0.19 -2.81 116.42 121.49 1dgn h ASP 39 Ca 0.09 -0.58 0.07 0.00 -0.62 0.00 0.00 57.03 55.98 1dgn h ASP 39 Cb 0.75 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1dgn h ASP 39 CO 0.06 1.14 0.26 -0.03 -3.12 0.00 0.00 179.24 177.55 1dgn h MET 40 N 0.25 0.00 0.06 3.56 4.05 -0.88 0.34 114.93 122.32 1dgn h MET 40 Ca -0.01 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.13 1dgn h MET 40 Cb 1.07 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.89 1dgn h MET 40 CO 0.10 0.00 -1.16 -0.91 0.23 0.00 0.00 176.91 175.17 1dgn h ASN 41 N 0.00 0.90 -0.41 1.39 -0.26 -1.21 -1.52 115.58 114.47 1dgn h ASN 41 Ca 0.11 -0.77 0.09 0.00 -0.56 0.00 0.00 56.30 55.16 1dgn h ASN 41 Cb 0.62 -0.28 -0.09 0.00 -1.06 0.00 0.00 38.32 37.52 1dgn h ASN 41 CO -0.00 1.58 -0.16 0.50 -1.06 0.00 0.00 177.43 178.28 1dgn h LYS 42 N 0.33 -0.08 0.06 0.81 1.63 -0.74 0.12 116.57 118.71 1dgn h LYS 42 Ca -0.16 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1dgn h LYS 42 Cb 1.82 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1dgn h LYS 42 CO 0.22 -0.05 -0.03 0.28 -3.45 0.00 0.00 179.45 176.42 1dgn h VAL 43 N -0.08 1.20 0.00 2.00 2.07 -1.62 -3.18 116.25 116.63 1dgn h VAL 43 Ca 0.20 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1dgn h VAL 43 Cb 0.39 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1dgn h VAL 43 CO -0.47 0.35 0.13 -1.14 0.02 0.00 0.00 177.57 176.46 1dgn n ARG 44 N -4.79 0.02 0.19 1.57 3.00 -0.57 -0.84 116.66 115.24 1dgn n ARG 44 Ca -0.08 0.42 0.14 0.00 -0.00 0.00 0.00 57.85 58.33 1dgn n ARG 44 Cb 0.31 -1.69 0.67 0.00 0.00 0.00 0.00 32.46 31.76 1dgn n ARG 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1dgn h ASP 45 N 0.00 0.00 -5.61 6.15 3.58 -0.74 -3.47 116.42 116.33 1dgn h ASP 45 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1dgn h ASP 45 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1dgn h ASP 45 CO 0.00 0.00 -0.87 -0.62 -2.88 0.00 0.00 179.24 174.87 1dgn n GLU 46 N -2.48 -2.38 0.00 0.28 1.02 -0.02 -5.00 120.64 112.07 1dgn n GLU 46 Ca -0.00 2.04 0.00 0.00 -0.02 0.00 0.00 57.16 59.18 1dgn n GLU 46 Cb 0.13 -4.25 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 1dgn n GLU 46 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1dgn n ASN 47 N 0.35 0.00 0.00 1.62 3.02 -1.26 -5.09 115.26 113.89 1dgn n ASN 47 Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1dgn n ASN 47 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1dgn n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1dgn n ASP 48 N -0.44 3.90 -4.01 6.41 5.68 -1.26 -5.09 116.55 121.74 1dgn n ASP 48 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 1dgn n ASP 48 Cb 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1dgn n THR 49 N 0.00 0.00 -0.34 2.12 -2.24 -1.26 -4.48 114.28 108.08 1dgn n THR 49 Ca 0.00 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 1dgn n THR 49 Cb 0.00 -0.02 0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dgn h VAL 50 N -1.03 1.26 -1.07 2.28 2.07 -1.98 -2.55 116.25 115.24 1dgn h VAL 50 Ca -0.41 -0.61 0.34 0.00 0.82 0.00 0.00 66.70 66.84 1dgn h VAL 50 Cb 1.35 -0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.98 1dgn h VAL 50 CO 0.22 0.28 0.64 0.24 0.02 0.00 0.00 177.57 178.97 1dgn h MET 51 N 1.27 0.28 0.01 1.57 2.86 -1.88 0.29 114.93 119.34 1dgn h MET 51 Ca 0.33 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1dgn h MET 51 Cb -0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1dgn h MET 51 CO -0.06 0.18 -0.26 -0.44 1.06 0.00 0.00 176.91 177.40 1dgn h ASP 52 N 0.29 0.04 -0.39 1.22 5.19 -1.76 -2.87 116.42 118.14 1dgn h ASP 52 Ca 0.73 -0.93 0.09 0.00 -0.62 0.00 0.00 57.03 56.31 1dgn h ASP 52 Cb 1.83 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.30 1dgn h ASP 52 CO -0.53 1.11 0.27 0.11 -3.12 0.00 0.00 179.24 177.08 1dgn h LYS 53 N -0.94 0.12 0.04 3.56 1.57 -0.96 -2.40 116.57 117.55 1dgn h LYS 53 Ca -0.06 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dgn h LYS 53 Cb 1.10 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1dgn h LYS 53 CO -0.02 0.08 -0.02 0.00 -0.57 0.00 0.00 179.45 178.92 1dgn h ALA 54 N 1.80 -0.07 -0.97 3.86 0.00 -0.59 -2.68 119.26 120.62 1dgn h ALA 54 Ca 0.18 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.33 1dgn h ALA 54 Cb 0.57 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.21 1dgn h ALA 54 CO -0.02 -0.06 -0.00 -0.09 0.00 0.00 0.00 179.25 179.08 1dgn h ARG 55 N -0.83 0.02 -0.25 0.00 1.12 -1.41 0.59 114.38 113.60 1dgn h ARG 55 Ca -0.01 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.70 1dgn h ARG 55 Cb 0.04 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1dgn h ARG 55 CO 0.01 0.01 -0.51 -0.24 -3.11 0.00 0.00 179.97 176.13 1dgn h VAL 56 N 0.02 1.30 -0.23 0.20 3.04 -1.58 -2.28 116.25 116.72 1dgn h VAL 56 Ca 0.57 -1.72 -0.02 0.00 -1.01 0.00 0.00 66.70 64.52 1dgn h VAL 56 Cb 1.13 1.65 -0.01 0.00 -2.01 0.00 0.00 31.29 32.05 1dgn h VAL 56 CO -0.91 0.55 0.06 0.25 -1.01 0.00 0.00 177.57 176.51 1dgn h LEU 57 N 0.56 0.35 -1.17 3.16 5.85 0.38 -2.00 115.31 122.44 1dgn h LEU 57 Ca 0.02 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 1dgn h LEU 57 Cb 1.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1dgn h LEU 57 CO 0.11 0.48 -0.38 -0.29 -0.34 0.00 0.00 178.44 178.02 1dgn h ILE 58 N 0.19 1.08 -0.16 4.05 2.10 -0.74 -3.04 117.51 120.98 1dgn h ILE 58 Ca 0.07 -1.38 -0.12 0.00 1.08 0.00 0.00 64.86 64.51 1dgn h ILE 58 Cb 0.27 1.79 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1dgn h ILE 58 CO 0.00 0.37 -0.36 -0.78 -1.08 0.00 0.00 178.15 176.30 1dgn h ASP 59 N 0.00 0.60 -0.20 2.19 3.58 -1.22 -3.12 116.42 118.25 1dgn h ASP 59 Ca -0.00 -0.57 0.02 0.00 0.42 0.00 0.00 57.03 56.90 1dgn h ASP 59 Cb 0.76 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1dgn h ASP 59 CO 0.05 1.05 0.06 -0.07 -2.88 0.00 0.00 179.24 177.45 1dgn h LEU 60 N 0.17 0.06 0.16 2.28 3.38 -1.31 -1.56 115.31 118.50 1dgn h LEU 60 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1dgn h LEU 60 Cb 0.97 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1dgn h LEU 60 CO 0.08 0.06 -0.51 0.58 0.09 0.00 0.00 178.44 178.74 1dgn h VAL 61 N 0.15 0.00 -0.87 1.22 2.07 -1.59 -1.96 116.25 115.27 1dgn h VAL 61 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.74 1dgn h VAL 61 Cb 0.06 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.74 1dgn h VAL 61 CO -0.09 0.00 0.47 0.74 0.02 0.00 0.00 177.57 178.71 1dgn h THR 62 N -0.77 0.78 -0.95 2.57 2.02 -1.47 -0.69 112.91 114.41 1dgn h THR 62 Ca -0.01 -0.24 0.17 0.00 0.77 0.00 0.00 66.41 67.10 1dgn h THR 62 Cb 0.75 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 1dgn h THR 62 CO -0.25 0.13 0.60 1.23 0.37 0.00 0.00 175.52 177.59 1dgn h GLY 63 N 0.70 1.34 -1.88 2.16 0.00 -0.53 0.66 103.07 105.52 1dgn h GLY 63 Ca 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1dgn h GLY 63 CO -0.33 0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.51 1dgn n LYS 64 N -4.62 0.83 -0.15 4.80 4.76 -0.26 -4.94 118.16 118.58 1dgn n LYS 64 Ca 0.20 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.66 1dgn n LYS 64 Cb 0.56 -1.13 -0.01 0.00 -1.84 0.00 0.00 35.03 32.62 1dgn n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dgn n GLY 65 N 0.53 -1.99 0.01 0.72 0.00 0.22 -4.32 105.19 100.37 1dgn n GLY 65 Ca 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.67 1dgn n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dgn n PRO 66 N -2.63 0.03 0.27 1.61 -0.04 -1.26 -3.15 135.00 129.83 1dgn n PRO 66 Ca -0.00 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1dgn n PRO 66 Cb 0.07 -1.54 0.72 0.00 -0.04 0.00 0.00 33.50 32.71 1dgn n PRO 66 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1dgn h LYS 67 N 0.00 0.00 0.07 0.54 3.64 -1.94 -1.78 116.57 117.10 1dgn h LYS 67 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1dgn h LYS 67 Cb 0.39 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1dgn h LYS 67 CO 0.00 0.06 -1.17 1.03 -2.27 0.00 0.00 179.45 177.09 1dgn h SER 68 N 0.00 0.24 -0.68 4.20 0.87 -1.73 -3.33 113.55 113.12 1dgn h SER 68 Ca -0.00 -0.27 0.14 0.00 -1.23 0.00 0.00 61.79 60.43 1dgn h SER 68 Cb 0.12 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 61.90 1dgn h SER 68 CO 0.01 1.21 0.14 0.00 -0.53 0.00 0.00 176.83 177.66 1dgn h LYS 71 N -0.76 0.82 0.02 0.00 1.57 -1.62 -2.57 116.57 114.04 1dgn h LYS 71 Ca -0.04 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1dgn h LYS 71 Cb 0.69 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1dgn h LYS 71 CO -0.12 0.54 -0.08 0.35 -0.57 0.00 0.00 179.45 179.58 1dgn h PHE 72 N 0.85 -0.20 -0.01 -1.35 3.04 -0.08 -0.12 116.94 119.05 1dgn h PHE 72 Ca 0.26 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1dgn h PHE 72 Cb 0.02 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 1dgn h PHE 72 CO -0.00 -0.13 -0.08 0.82 -2.02 0.00 0.00 178.31 176.90 1dgn h ILE 73 N -0.15 1.07 -0.06 1.41 2.04 -0.76 -0.41 117.51 120.65 1dgn h ILE 73 Ca 0.03 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1dgn h ILE 73 Cb 0.18 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1dgn h ILE 73 CO -0.07 0.09 -0.20 0.11 0.00 0.00 0.00 178.15 178.08 1dgn h LYS 74 N 0.02 0.24 -0.61 2.37 1.57 -1.00 -2.79 116.57 116.37 1dgn h LYS 74 Ca 0.00 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1dgn h LYS 74 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1dgn h LYS 74 CO 0.01 0.81 0.06 0.45 -0.57 0.00 0.00 179.45 180.21 1dgn h HIS 75 N -0.29 1.11 -0.28 -1.35 3.86 -0.74 -2.66 115.15 114.80 1dgn h HIS 75 Ca -0.01 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1dgn h HIS 75 Cb 0.84 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1dgn h HIS 75 CO 0.13 0.97 0.15 1.25 0.86 0.00 0.00 177.93 181.28 1dgn h LEU 76 N 0.94 0.33 0.41 2.43 5.85 -1.14 -2.15 115.31 121.98 1dgn h LEU 76 Ca 0.18 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1dgn h LEU 76 Cb 0.48 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1dgn h LEU 76 CO 0.02 0.28 -0.20 0.00 -0.34 0.00 0.00 178.44 178.20 1dgn n GLU 78 N -5.27 0.12 -0.03 0.00 0.28 -1.11 -2.12 120.64 112.51 1dgn n GLU 78 Ca -0.11 0.38 -0.19 0.00 -0.16 0.00 0.00 57.16 57.09 1dgn n GLU 78 Cb 0.27 -1.74 -0.14 0.00 1.43 0.00 0.00 31.44 31.26 1dgn n GLU 78 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1dgn n GLU 79 N -1.98 0.72 -3.03 3.44 -0.58 -0.83 -4.81 120.64 113.58 1dgn n GLU 79 Ca 0.02 0.23 -0.15 0.00 -0.42 0.00 0.00 57.16 56.84 1dgn n GLU 79 Cb 0.19 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 1dgn n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1dgn n ASP 80 N -3.37 -1.85 0.33 1.62 2.03 0.56 -4.95 116.55 110.92 1dgn n ASP 80 Ca -0.34 -2.76 0.12 0.00 0.52 0.00 0.00 54.79 52.33 1dgn n ASP 80 Cb 1.04 0.64 0.65 0.00 -0.72 0.00 0.00 41.12 42.73 1dgn n ASP 80 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1dgn h PRO 81 N 4.91 0.00 0.00 -0.67 0.11 -1.62 -0.71 132.00 134.03 1dgn h PRO 81 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1dgn h PRO 81 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1dgn h PRO 81 CO 0.25 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.98 1dgn n GLN 82 N -2.77 0.00 -0.34 1.05 7.27 -1.26 -3.34 117.38 118.00 1dgn n GLN 82 Ca -0.02 0.22 0.10 0.00 0.07 0.00 0.00 57.00 57.37 1dgn n GLN 82 Cb 0.48 -0.98 0.30 0.00 2.41 0.00 0.00 30.24 32.45 1dgn n GLN 82 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1dgn h LEU 83 N 0.00 0.83 0.00 1.69 5.85 -1.90 0.36 115.31 122.13 1dgn h LEU 83 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1dgn h LEU 83 Cb 0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1dgn h LEU 83 CO 0.00 0.40 0.17 0.00 -0.34 0.00 0.00 178.44 178.67 1dgn n ALA 84 N -2.37 0.65 -0.02 1.25 0.00 -0.29 -0.91 120.51 118.83 1dgn n ALA 84 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1dgn n ALA 84 Cb 0.44 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1dgn n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dgn h SER 85 N 0.00 0.11 -0.14 0.00 0.87 -0.28 2.17 113.55 116.28 1dgn h SER 85 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1dgn h SER 85 Cb 0.34 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1dgn h SER 85 CO 0.00 0.38 0.00 0.29 -0.53 0.00 0.00 176.83 176.97 1dgn n LYS 86 N -4.87 1.37 -0.47 2.24 5.02 -0.08 -3.18 118.16 118.19 1dgn n LYS 86 Ca -0.07 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1dgn n LYS 86 Cb 0.18 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1dgn n LYS 86 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1dgn n MET 87 N -0.07 0.00 -2.65 1.97 2.81 -0.90 -4.93 117.12 113.35 1dgn n MET 87 Ca 0.05 -0.68 -0.24 0.00 -1.81 0.00 0.00 57.70 55.02 1dgn n MET 87 Cb 0.15 -0.35 -0.01 0.00 -0.71 0.00 0.00 33.22 32.31 1dgn n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dgn n GLY 88 N 0.00 5.26 0.37 3.03 0.00 0.73 -4.91 105.19 109.66 1dgn n GLY 88 Ca 0.00 -2.54 0.31 0.00 0.00 0.00 0.00 46.02 43.79 1dgn n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dgn n LEU 89 N -0.33 0.15 0.00 0.99 7.99 -1.26 -4.94 117.00 119.60 1dgn n LEU 89 Ca 0.33 1.05 0.10 0.00 -0.01 0.00 0.00 56.01 57.47 1dgn n LEU 89 Cb 0.61 -0.51 0.60 0.00 -0.11 0.00 0.00 43.42 44.01 1dgn n LEU 89 CO 0.32 -1.13 0.79 1.57 -1.51 0.00 0.00 177.39 177.43