#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 s ILE 3 N 0.00 3.22 -0.29 -1.44 -5.25 -1.26 -4.73 121.20 111.46 3df3 s ILE 3 Ca 0.00 -0.24 -0.22 0.00 -0.99 0.00 0.00 60.65 59.21 3df3 s ILE 3 Cb 0.00 -3.65 0.15 0.00 2.95 0.00 0.00 42.46 41.91 3df3 s ILE 3 CO 0.00 -0.46 1.11 -0.75 -1.79 0.00 0.00 174.94 173.05 3df3 s LYS 4 N 7.92 0.35 0.39 0.37 2.36 -1.26 -5.05 119.74 124.83 3df3 s LYS 4 Ca 0.81 0.48 0.09 0.00 -2.55 0.00 0.00 55.97 54.80 3df3 s LYS 4 Cb -0.08 0.14 0.86 0.00 -1.05 0.00 0.00 37.83 37.69 3df3 s LYS 4 CO 0.07 -0.05 1.97 0.66 1.55 0.00 0.00 175.35 179.54 3df3 h SER 5 N 4.66 0.54 0.00 1.43 4.64 -2.07 0.54 113.55 123.29 3df3 h SER 5 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3df3 h SER 5 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3df3 h SER 5 CO 0.16 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 3df3 n ALA 6 N -2.47 2.01 -0.32 5.18 0.00 -1.26 -3.64 120.51 120.00 3df3 n ALA 6 Ca 0.10 -0.08 0.20 0.00 0.00 0.00 0.00 53.44 53.66 3df3 n ALA 6 Cb 0.29 -1.20 0.40 0.00 0.00 0.00 0.00 19.45 18.93 3df3 n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3df3 h LYS 7 N 0.00 0.15 -0.96 0.00 3.64 -1.17 -0.95 116.57 117.29 3df3 h LYS 7 Ca 0.00 -0.01 0.39 0.00 -1.27 0.00 0.00 60.65 59.76 3df3 h LYS 7 Cb 0.00 -0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 31.63 3df3 h LYS 7 CO 0.00 0.10 0.54 1.17 -2.27 0.00 0.00 179.45 178.98 3df3 n LYS 8 N -5.25 -0.05 -0.27 1.90 4.81 -1.24 0.54 118.16 118.60 3df3 n LYS 8 Ca 0.28 1.22 0.09 0.00 -0.87 0.00 0.00 58.31 59.03 3df3 n LYS 8 Cb 0.90 -2.23 0.23 0.00 0.02 0.00 0.00 35.03 33.95 3df3 n LYS 8 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3df3 h ARG 9 N 0.00 0.25 -0.72 1.64 9.65 -1.50 0.15 114.38 123.86 3df3 h ARG 9 Ca 0.77 -0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.79 3df3 h ARG 9 Cb 2.11 -0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 30.51 3df3 h ARG 9 CO -0.65 0.17 0.03 0.00 2.80 0.00 0.00 179.97 182.32 3df3 h ALA 10 N 1.68 0.77 -0.11 2.80 0.00 -0.12 0.71 119.26 125.00 3df3 h ALA 10 Ca 0.48 0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.49 3df3 h ALA 10 Cb 0.88 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3df3 h ALA 10 CO -0.57 -0.40 -0.38 0.82 0.00 0.00 0.00 179.25 178.72 3df3 h ILE 11 N 0.13 1.38 -0.51 0.00 2.04 -0.94 -3.26 117.51 116.35 3df3 h ILE 11 Ca 0.39 -1.71 0.10 0.00 1.00 0.00 0.00 64.86 64.64 3df3 h ILE 11 Cb 0.67 2.18 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 3df3 h ILE 11 CO -0.60 0.51 -0.07 -0.61 0.00 0.00 0.00 178.15 177.37 3df3 h GLN 12 N 0.02 0.05 -0.66 2.37 4.15 0.50 -0.99 115.11 120.55 3df3 h GLN 12 Ca -0.02 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.48 3df3 h GLN 12 Cb 1.01 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.63 3df3 h GLN 12 CO 0.08 0.03 0.33 0.66 -1.93 0.00 0.00 178.83 178.00 3df3 h SER 13 N 0.05 0.44 -0.33 -0.69 4.64 -1.00 -2.41 113.55 114.24 3df3 h SER 13 Ca 0.25 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.69 3df3 h SER 13 Cb 0.39 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.39 3df3 h SER 13 CO -0.49 0.27 -0.08 -0.33 -0.87 0.00 0.00 176.83 175.34 3df3 h GLU 14 N 0.59 0.01 -0.97 4.77 4.39 -1.23 0.47 114.58 122.60 3df3 h GLU 14 Ca 0.31 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.20 3df3 h GLU 14 Cb 0.29 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.83 3df3 h GLU 14 CO -0.24 0.00 0.56 0.87 -1.16 0.00 0.00 179.01 179.05 3df3 h LYS 15 N 0.01 0.69 -0.13 2.33 1.79 -1.10 0.83 116.57 120.99 3df3 h LYS 15 Ca 0.16 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.48 3df3 h LYS 15 Cb 0.24 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3df3 h LYS 15 CO -0.34 0.46 -0.35 0.00 -1.08 0.00 0.00 179.45 178.14 3df3 h ALA 16 N 1.63 0.22 0.68 3.86 0.00 -0.90 -2.82 119.26 121.93 3df3 h ALA 16 Ca 0.55 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3df3 h ALA 16 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3df3 h ALA 16 CO -0.39 0.29 -0.50 -0.09 0.00 0.00 0.00 179.25 178.56 3df3 h ARG 17 N 0.08 -1.09 -0.94 0.00 1.12 0.15 1.37 114.38 115.07 3df3 h ARG 17 Ca -0.01 0.07 0.20 0.00 -1.11 0.00 0.00 59.98 59.14 3df3 h ARG 17 Cb 0.96 0.25 -0.08 0.00 -0.01 0.00 0.00 29.97 31.09 3df3 h ARG 17 CO 0.08 -0.73 0.61 0.87 -3.11 0.00 0.00 179.97 177.69 3df3 h LYS 18 N -1.13 0.52 0.14 0.20 1.57 -1.02 0.19 116.57 117.03 3df3 h LYS 18 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3df3 h LYS 18 Cb 0.93 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3df3 h LYS 18 CO 0.04 0.34 -0.07 1.25 -0.57 0.00 0.00 179.45 180.44 3df3 h HIS 19 N 0.53 -0.18 -0.70 -1.35 2.76 -1.15 -3.18 115.15 111.88 3df3 h HIS 19 Ca 0.50 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.83 3df3 h HIS 19 Cb 1.08 0.06 -0.12 0.00 1.55 0.00 0.00 27.41 29.98 3df3 h HIS 19 CO -0.00 0.07 0.02 -0.91 -1.30 0.00 0.00 177.93 175.81 3df3 h ASN 20 N -1.01 -0.30 -0.01 3.26 4.21 0.23 -2.35 115.58 119.62 3df3 h ASN 20 Ca -0.02 0.18 0.01 0.00 1.21 0.00 0.00 56.30 57.68 3df3 h ASN 20 Cb 0.33 0.31 -0.02 0.00 -1.12 0.00 0.00 38.32 37.82 3df3 h ASN 20 CO 0.03 -0.14 -0.23 0.00 -1.29 0.00 0.00 177.43 175.80 3df3 h ALA 21 N 1.65 -0.68 -0.72 -0.83 0.00 -0.75 0.79 119.26 118.71 3df3 h ALA 21 Ca 0.38 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.38 3df3 h ALA 21 Cb 0.65 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 3df3 h ALA 21 CO -0.60 -0.75 -0.31 0.66 0.00 0.00 0.00 179.25 178.24 3df3 h SER 22 N -0.28 -1.10 -0.17 0.00 4.64 -1.43 0.55 113.55 115.75 3df3 h SER 22 Ca 0.01 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3df3 h SER 22 Cb 0.30 0.59 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3df3 h SER 22 CO -0.16 -0.29 0.10 0.03 -0.87 0.00 0.00 176.83 175.65 3df3 h ARG 23 N -0.09 0.21 0.18 4.77 2.47 -1.06 -1.91 114.38 118.95 3df3 h ARG 23 Ca 0.29 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.01 3df3 h ARG 23 Cb 0.57 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 3df3 h ARG 23 CO -0.77 0.14 -0.41 -0.09 0.56 0.00 0.00 179.97 179.40 3df3 h ARG 24 N 0.21 -0.65 -0.37 0.04 2.43 0.33 -2.45 114.38 113.92 3df3 h ARG 24 Ca 0.06 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3df3 h ARG 24 Cb -0.01 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 3df3 h ARG 24 CO -0.03 -0.44 -0.20 0.77 -1.51 0.00 0.00 179.97 178.57 3df3 h SER 25 N -0.68 -0.68 -0.29 -3.80 0.02 0.09 -1.91 113.55 106.30 3df3 h SER 25 Ca 0.01 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3df3 h SER 25 Cb 0.68 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 3df3 h SER 25 CO -0.20 -0.23 -0.34 -0.03 -1.14 0.00 0.00 176.83 174.88 3df3 h MET 26 N -0.14 -0.31 -0.28 3.45 1.85 -1.09 0.63 114.93 119.03 3df3 h MET 26 Ca 0.18 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.36 3df3 h MET 26 Cb 0.43 0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.46 3df3 h MET 26 CO -0.46 -0.21 -0.18 1.98 -0.40 0.00 0.00 176.91 177.64 3df3 h MET 27 N -0.32 -0.15 -0.34 0.39 -1.53 -0.97 -0.61 114.93 111.39 3df3 h MET 27 Ca 0.14 0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.48 3df3 h MET 27 Cb 0.55 0.04 -0.08 0.00 -0.55 0.00 0.00 31.60 31.56 3df3 h MET 27 CO -0.47 -0.10 -0.19 0.00 0.14 0.00 0.00 176.91 176.29 3df3 h ARG 28 N -0.16 -0.13 -0.49 0.39 2.47 -0.52 -2.33 114.38 113.61 3df3 h ARG 28 Ca 0.15 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3df3 h ARG 28 Cb 0.39 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 3df3 h ARG 28 CO -0.38 -0.09 0.31 1.79 0.56 0.00 0.00 179.97 182.16 3df3 h THR 29 N -0.13 1.14 -0.75 2.04 1.35 -0.17 -2.65 112.91 113.74 3df3 h THR 29 Ca 0.17 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3df3 h THR 29 Cb 0.40 0.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 3df3 h THR 29 CO -0.43 0.14 0.47 -0.26 -0.25 0.00 0.00 175.52 175.20 3df3 h PHE 30 N 0.66 0.97 -0.16 4.73 -1.00 -0.79 -2.06 116.94 119.28 3df3 h PHE 30 Ca 0.18 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.89 3df3 h PHE 30 Cb -0.03 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.19 3df3 h PHE 30 CO -0.03 0.63 -0.25 0.82 -1.61 0.00 0.00 178.31 177.87 3df3 h ILE 31 N 1.03 1.25 -0.96 -0.55 2.04 -1.18 -2.92 117.51 116.22 3df3 h ILE 31 Ca 0.27 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.98 3df3 h ILE 31 Cb -0.07 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3df3 h ILE 31 CO -0.05 0.36 0.63 0.11 0.00 0.00 0.00 178.15 179.19 3df3 h LYS 32 N 0.27 1.27 -1.32 2.37 1.57 -1.03 -1.78 116.57 117.92 3df3 h LYS 32 Ca 0.04 -0.08 0.45 0.00 -1.87 0.00 0.00 60.65 59.19 3df3 h LYS 32 Cb 0.60 -0.28 -0.14 0.00 0.08 0.00 0.00 32.23 32.48 3df3 h LYS 32 CO 0.04 0.85 0.84 0.87 -0.57 0.00 0.00 179.45 181.49 3df3 h LYS 33 N 1.31 0.04 -0.40 3.15 1.79 -1.46 1.29 116.57 122.29 3df3 h LYS 33 Ca 0.35 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.79 3df3 h LYS 33 Cb -0.13 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 3df3 h LYS 33 CO -0.07 0.03 0.13 0.28 -1.08 0.00 0.00 179.45 178.73 3df3 h VAL 34 N 0.05 1.21 -0.47 0.50 2.07 -1.48 -2.06 116.25 116.06 3df3 h VAL 34 Ca 0.85 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3df3 h VAL 34 Cb 2.67 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 33.30 3df3 h VAL 34 CO -0.47 0.25 0.17 0.10 0.02 0.00 0.00 177.57 177.64 3df3 h TYR 35 N 0.51 0.30 0.65 1.57 -0.00 0.16 0.99 116.97 121.14 3df3 h TYR 35 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.86 3df3 h TYR 35 Cb 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 36.92 3df3 h TYR 35 CO 0.01 0.11 -0.36 0.00 -0.00 0.00 0.00 178.16 177.91 3df3 h ALA 36 N 1.31 -0.95 0.02 0.10 0.00 -1.29 0.44 119.26 118.88 3df3 h ALA 36 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3df3 h ALA 36 Cb 0.22 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3df3 h ALA 36 CO -0.22 -1.05 -0.44 0.00 0.00 0.00 0.00 179.25 177.54 3df3 h ALA 37 N -0.64 -0.74 0.58 0.00 0.00 -1.07 0.66 119.26 118.05 3df3 h ALA 37 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3df3 h ALA 37 Cb 0.75 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3df3 h ALA 37 CO 0.11 -0.99 -0.46 0.82 0.00 0.00 0.00 179.25 178.73 3df3 h ILE 38 N -0.61 0.09 0.20 0.00 1.08 -0.75 0.32 117.51 117.84 3df3 h ILE 38 Ca 0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 3df3 h ILE 38 Cb 0.68 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3df3 h ILE 38 CO -0.32 0.00 -0.29 -0.08 -0.69 0.00 0.00 178.15 176.78 3df3 h GLU 39 N -1.01 -0.53 0.00 2.37 4.81 0.04 -0.41 114.58 119.85 3df3 h GLU 39 Ca -0.07 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3df3 h GLU 39 Cb 0.85 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.35 3df3 h GLU 39 CO 0.01 -0.36 0.00 0.00 -0.73 0.00 0.00 179.01 177.93 3df3 n ALA 40 N -2.61 1.90 -1.91 2.92 0.00 0.23 -4.94 120.51 116.09 3df3 n ALA 40 Ca -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 3df3 n ALA 40 Cb 0.31 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3df3 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df3 n GLY 41 N -0.04 -4.64 2.66 0.00 0.00 0.10 -5.01 105.19 98.26 3df3 n GLY 41 Ca 0.08 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3df3 n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3df3 n ASP 42 N 1.12 -1.25 0.14 1.61 -0.08 -0.70 -4.94 116.55 112.46 3df3 n ASP 42 Ca -0.06 -1.60 0.16 0.00 -1.51 0.00 0.00 54.79 51.77 3df3 n ASP 42 Cb 0.10 0.67 0.51 0.00 2.34 0.00 0.00 41.12 44.74 3df3 n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3df3 h LYS 43 N 3.26 0.00 0.00 -0.67 -0.00 -1.93 0.42 116.57 117.65 3df3 h LYS 43 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.44 3df3 h LYS 43 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 3df3 h LYS 43 CO -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 179.45 179.25 3df3 n ALA 44 N -1.99 -0.11 -0.06 0.07 0.00 -1.26 -2.66 120.51 114.51 3df3 n ALA 44 Ca 0.07 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.72 3df3 n ALA 44 Cb 0.86 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.98 3df3 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df3 h ALA 45 N -2.00 2.50 0.15 0.00 0.00 -1.87 -1.66 119.26 116.38 3df3 h ALA 45 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3df3 h ALA 45 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3df3 h ALA 45 CO 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 179.25 178.42 3df3 h ALA 46 N 1.69 -0.87 -0.61 0.00 0.00 -1.01 0.57 119.26 119.03 3df3 h ALA 46 Ca 0.30 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3df3 h ALA 46 Cb 1.12 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 3df3 h ALA 46 CO -0.02 -0.87 0.30 1.96 0.00 0.00 0.00 179.25 180.61 3df3 h GLN 47 N -0.30 0.54 -0.31 0.00 4.20 -1.24 -1.14 115.11 116.85 3df3 h GLN 47 Ca -0.02 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.73 3df3 h GLN 47 Cb 0.26 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 3df3 h GLN 47 CO -0.02 0.35 -0.24 -0.22 -0.67 0.00 0.00 178.83 178.03 3df3 h LYS 48 N 0.55 -0.21 0.00 1.46 1.63 -1.07 -0.39 116.57 118.55 3df3 h LYS 48 Ca 0.29 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 3df3 h LYS 48 Cb 0.25 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3df3 h LYS 48 CO -0.22 -0.14 -0.08 0.00 -3.45 0.00 0.00 179.45 175.57 3df3 h ALA 49 N 0.89 1.08 0.40 5.00 0.00 0.77 -2.74 119.26 124.66 3df3 h ALA 49 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3df3 h ALA 49 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3df3 h ALA 49 CO -0.44 0.10 -0.19 0.35 0.00 0.00 0.00 179.25 179.07 3df3 h PHE 50 N 0.00 -0.49 0.00 0.00 3.04 0.16 -2.60 116.94 117.05 3df3 h PHE 50 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3df3 h PHE 50 Cb 0.44 0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.11 3df3 h PHE 50 CO 0.00 -0.31 0.00 0.27 -2.02 0.00 0.00 178.31 176.25 3df3 n ASN 51 N -4.13 0.00 0.15 0.41 0.23 -1.04 -0.22 115.26 110.66 3df3 n ASN 51 Ca -0.07 0.29 0.03 0.00 -0.53 0.00 0.00 54.58 54.31 3df3 n ASN 51 Cb 0.21 -0.35 0.04 0.00 -2.08 0.00 0.00 39.78 37.60 3df3 n ASN 51 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3df3 h GLU 52 N 0.00 0.00 0.00 -3.83 4.81 -1.20 -3.36 114.58 111.00 3df3 h GLU 52 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3df3 h GLU 52 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3df3 h GLU 52 CO 0.00 0.46 -0.72 0.00 -0.73 0.00 0.00 179.01 178.01 3df3 n MET 53 N -3.21 1.89 -0.31 1.92 0.00 0.39 -4.70 117.12 113.09 3df3 n MET 53 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.77 3df3 n MET 53 Cb 0.72 -0.86 0.14 0.00 0.00 0.00 0.00 33.22 33.22 3df3 n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3df3 h GLN 54 N 0.00 0.01 -0.42 3.17 4.15 -0.74 0.26 115.11 121.53 3df3 h GLN 54 Ca 0.00 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3df3 h GLN 54 Cb 0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3df3 h GLN 54 CO 0.00 0.01 -0.24 -1.00 -1.93 0.00 0.00 178.83 175.67 3df3 h PRO 55 N 0.01 0.91 -0.12 -2.39 0.13 -1.85 -2.40 132.00 126.28 3df3 h PRO 55 Ca 0.44 -0.41 0.05 0.00 -0.87 0.00 0.00 66.00 65.21 3df3 h PRO 55 Cb 0.72 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 3df3 h PRO 55 CO -0.89 1.07 -0.30 0.82 -0.23 0.00 0.00 178.00 178.46 3df3 h ILE 56 N 0.73 0.32 0.12 -3.56 2.04 -0.85 0.14 117.51 116.45 3df3 h ILE 56 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3df3 h ILE 56 Cb 0.82 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3df3 h ILE 56 CO 0.07 0.00 -0.06 -0.37 0.00 0.00 0.00 178.15 177.79 3df3 h VAL 57 N -0.38 0.96 -0.39 1.67 -1.51 -1.12 0.02 116.25 115.50 3df3 h VAL 57 Ca 0.10 -0.30 0.08 0.00 -1.23 0.00 0.00 66.70 65.35 3df3 h VAL 57 Cb 0.53 1.15 -0.08 0.00 -2.13 0.00 0.00 31.29 30.76 3df3 h VAL 57 CO -0.34 0.07 -0.11 0.44 -1.23 0.00 0.00 177.57 176.41 3df3 h ASP 58 N -0.29 -0.39 0.73 4.19 3.32 -1.17 -1.55 116.42 121.25 3df3 h ASP 58 Ca -0.02 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3df3 h ASP 58 Cb 0.24 0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.05 3df3 h ASP 58 CO 0.03 -0.14 -0.35 -0.09 -1.72 0.00 0.00 179.24 176.97 3df3 h ARG 59 N -0.01 -0.94 0.00 3.56 2.43 -0.63 0.28 114.38 119.06 3df3 h ARG 59 Ca 0.19 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3df3 h ARG 59 Cb 0.30 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3df3 h ARG 59 CO -0.41 -0.62 0.32 1.04 -1.51 0.00 0.00 179.97 178.78 3df3 n GLN 60 N -5.51 0.08 -0.14 0.20 1.13 -0.02 -1.26 117.38 111.87 3df3 n GLN 60 Ca -0.14 0.53 -0.29 0.00 -1.94 0.00 0.00 57.00 55.16 3df3 n GLN 60 Cb 0.39 -2.06 -0.10 0.00 0.11 0.00 0.00 30.24 28.58 3df3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3df3 n ALA 61 N -1.52 1.16 -0.58 -1.58 0.00 -0.62 -3.11 120.51 114.26 3df3 n ALA 61 Ca -0.01 -1.04 0.47 0.00 0.00 0.00 0.00 53.44 52.86 3df3 n ALA 61 Cb 0.33 0.05 0.79 0.00 0.00 0.00 0.00 19.45 20.62 3df3 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df3 h ALA 62 N -0.92 3.55 -2.15 0.00 0.00 0.44 -1.83 119.26 118.35 3df3 h ALA 62 Ca -0.67 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 53.58 3df3 h ALA 62 Cb 1.59 0.14 -0.40 0.00 0.00 0.00 0.00 17.79 19.12 3df3 h ALA 62 CO -0.40 -2.06 -0.40 1.63 0.00 0.00 0.00 179.25 178.02 3df3 n LYS 63 N -4.09 3.23 0.00 0.00 4.76 -1.15 -5.03 118.16 115.89 3df3 n LYS 63 Ca 0.39 -4.76 0.00 0.00 -2.87 0.00 0.00 58.31 51.06 3df3 n LYS 63 Cb 1.75 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 3df3 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df3 n GLY 64 N 0.27 2.01 5.21 0.72 0.00 -0.70 -4.83 105.19 107.88 3df3 n GLY 64 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3df3 n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3df3 n LEU 65 N 0.00 0.00 -0.08 0.99 7.94 -1.26 -1.80 117.00 122.79 3df3 n LEU 65 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3df3 n LEU 65 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3df3 n LEU 65 CO 0.00 0.00 -0.58 -0.38 -1.11 0.00 0.00 177.39 175.32 3df3 n ILE 66 N 0.00 1.38 -2.00 1.96 -0.00 -1.18 -5.06 119.36 114.46 3df3 n ILE 66 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 62.75 62.93 3df3 n ILE 66 Cb 0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 39.64 37.34 3df3 n ILE 66 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 3df3 n HIS 67 N -4.34 -1.31 -4.01 1.39 -0.00 -0.75 -4.85 115.22 101.36 3df3 n HIS 67 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 3df3 n HIS 67 Cb 0.45 0.12 -0.00 0.00 -0.12 0.00 0.00 29.99 30.43 3df3 n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3df3 n LYS 68 N -0.73 -0.04 0.29 1.57 4.76 -1.26 -3.63 118.16 119.11 3df3 n LYS 68 Ca 0.00 0.03 0.13 0.00 -2.87 0.00 0.00 58.31 55.60 3df3 n LYS 68 Cb 0.00 -0.05 0.84 0.00 -1.84 0.00 0.00 35.03 33.98 3df3 n LYS 68 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3df3 h ASN 69 N -0.02 0.00 -0.14 4.39 2.35 -2.01 -3.31 115.58 116.83 3df3 h ASN 69 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3df3 h ASN 69 Cb 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3df3 h ASN 69 CO 0.00 0.00 -0.08 1.17 -1.65 0.00 0.00 177.43 176.87 3df3 n LYS 70 N -4.03 -0.06 0.05 0.81 3.00 -1.24 0.69 118.16 117.37 3df3 n LYS 70 Ca -0.03 0.40 -0.11 0.00 -0.00 0.00 0.00 58.31 58.57 3df3 n LYS 70 Cb 0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 35.03 34.47 3df3 n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df3 h ALA 71 N -0.12 -0.15 -0.08 3.14 0.00 -1.74 0.07 119.26 120.39 3df3 h ALA 71 Ca 0.02 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3df3 h ALA 71 Cb 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3df3 h ALA 71 CO -0.13 -0.62 -0.29 0.00 0.00 0.00 0.00 179.25 178.20 3df3 h ALA 72 N 0.74 -0.67 -0.27 0.00 0.00 0.05 -1.51 119.26 117.61 3df3 h ALA 72 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3df3 h ALA 72 Cb 0.28 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3df3 h ALA 72 CO -0.13 -0.78 0.15 0.07 0.00 0.00 0.00 179.25 178.56 3df3 h ARG 73 N -0.30 0.36 -0.22 0.00 0.11 -1.02 0.87 114.38 114.17 3df3 h ARG 73 Ca 0.02 -0.03 0.06 0.00 0.10 0.00 0.00 59.98 60.13 3df3 h ARG 73 Cb 0.36 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 3df3 h ARG 73 CO -0.24 0.27 0.22 1.25 0.10 0.00 0.00 179.97 181.57 3df3 h HIS 74 N 0.37 0.00 0.00 4.08 2.76 0.00 -2.90 115.15 119.46 3df3 h HIS 74 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3df3 h HIS 74 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 3df3 h HIS 74 CO 0.00 0.00 -0.17 0.87 -1.30 0.00 0.00 177.93 177.34 3df3 h LYS 75 N 0.00 0.00 -0.05 5.26 1.57 -0.04 -3.37 116.57 119.94 3df3 h LYS 75 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3df3 h LYS 75 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3df3 h LYS 75 CO -0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.85 3df3 n ALA 76 N -2.80 -0.03 -0.28 3.86 0.00 -0.84 0.53 120.51 120.95 3df3 n ALA 76 Ca -0.02 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3df3 n ALA 76 Cb 0.09 0.18 0.26 0.00 0.00 0.00 0.00 19.45 19.98 3df3 n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3df3 h ASN 77 N 0.00 0.10 0.61 0.00 7.08 -1.78 -1.10 115.58 120.50 3df3 h ASN 77 Ca 0.01 0.17 -0.02 0.00 -3.08 0.00 0.00 56.30 53.37 3df3 h ASN 77 Cb 0.02 0.20 -0.02 0.00 -2.08 0.00 0.00 38.32 36.45 3df3 h ASN 77 CO -0.05 -0.07 -0.50 -0.07 -2.08 0.00 0.00 177.43 174.66 3df3 h LEU 78 N 0.29 -1.33 -0.19 6.14 3.38 -0.07 -0.66 115.31 122.87 3df3 h LEU 78 Ca 0.51 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.63 3df3 h LEU 78 Cb 0.96 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 42.07 3df3 h LEU 78 CO -0.57 -0.70 -0.26 0.74 0.09 0.00 0.00 178.44 177.74 3df3 h THR 79 N -1.08 0.37 -0.10 0.22 2.02 -0.86 0.50 112.91 113.98 3df3 h THR 79 Ca -0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.13 3df3 h THR 79 Cb 0.91 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3df3 h THR 79 CO -0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 3df3 h ALA 80 N 0.67 1.50 0.04 6.16 0.00 -1.07 -1.54 119.26 125.02 3df3 h ALA 80 Ca 0.12 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 3df3 h ALA 80 Cb 0.48 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3df3 h ALA 80 CO -0.36 -0.32 -2.12 1.04 0.00 0.00 0.00 179.25 177.49 3df3 n GLN 81 N -3.24 0.69 0.00 0.00 6.02 0.73 -3.68 117.38 117.90 3df3 n GLN 81 Ca 0.00 0.19 0.01 0.00 -0.01 0.00 0.00 57.00 57.19 3df3 n GLN 81 Cb 0.35 -1.65 0.08 0.00 1.02 0.00 0.00 30.24 30.05 3df3 n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3df3 n ILE 82 N -3.18 0.00 -0.04 5.09 -5.35 0.14 -3.24 119.36 112.79 3df3 n ILE 82 Ca -0.32 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.08 3df3 n ILE 82 Cb 1.06 -0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 3df3 n ILE 82 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3df3 n ASN 83 N -0.57 1.35 -2.62 7.28 3.02 -1.09 -4.72 115.26 117.90 3df3 n ASN 83 Ca 0.02 0.21 -0.19 0.00 -0.03 0.00 0.00 54.58 54.60 3df3 n ASN 83 Cb 0.01 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 3df3 n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3df3 n LYS 84 N -3.86 2.13 0.00 3.52 4.01 -1.20 -3.34 118.16 119.42 3df3 n LYS 84 Ca -0.13 -1.24 0.00 0.00 -0.51 0.00 0.00 58.31 56.43 3df3 n LYS 84 Cb 0.40 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 3df3 n LYS 84 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 3df3 n LEU 85 N 3.20 0.00 0.00 -0.35 -0.00 -1.26 -5.01 117.00 113.59 3df3 n LEU 85 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.47 3df3 n LEU 85 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 3df3 n LEU 85 CO 0.43 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.75