#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8k h LEU 2 N 0.00 0.37 -0.61 0.00 6.46 -2.06 0.11 115.31 119.59 1d8k h LEU 2 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1d8k h LEU 2 Cb 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1d8k h LEU 2 CO 0.00 0.33 0.00 -0.24 -0.62 0.00 0.00 178.44 177.91 1d8k n SER 3 N -4.83 0.35 -0.08 1.25 2.88 -1.26 -2.22 113.62 109.71 1d8k n SER 3 Ca -0.01 0.62 -0.19 0.00 -1.33 0.00 0.00 58.87 57.96 1d8k n SER 3 Cb 0.06 -0.68 -0.13 0.00 -0.75 0.00 0.00 64.21 62.71 1d8k n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d8k n GLY 4 N -0.72 -0.44 0.34 0.46 0.00 -0.50 -4.32 105.19 100.01 1d8k n GLY 4 Ca 0.01 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.91 1d8k n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1d8k h SER 5 N 0.03 0.43 -0.64 1.61 0.87 -0.36 -2.17 113.55 113.31 1d8k h SER 5 Ca -0.52 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.17 1d8k h SER 5 Cb 1.95 -0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 63.71 1d8k h SER 5 CO -0.02 0.27 -0.12 0.77 -0.53 0.00 0.00 176.83 177.20 1d8k h SER 6 N 0.48 -0.52 0.00 6.23 4.64 -1.70 -3.44 113.55 119.25 1d8k h SER 6 Ca 0.26 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1d8k h SER 6 Cb 0.39 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1d8k h SER 6 CO -0.07 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.30 1d8k n GLY 7 N -1.42 -0.27 0.15 -0.77 0.00 -0.86 -4.75 105.19 97.26 1d8k n GLY 7 Ca 0.08 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1d8k n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1d8k n TYR 8 N 0.00 0.00 0.02 1.61 9.36 -0.95 -4.41 117.16 122.79 1d8k n TYR 8 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1d8k n TYR 8 Cb 0.00 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 38.57 1d8k n TYR 8 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1d8k n LYS 9 N -0.82 0.00 -0.11 2.98 5.02 -1.26 -4.98 118.16 118.99 1d8k n LYS 9 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1d8k n LYS 9 Cb 0.27 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.26 1d8k n LYS 9 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1d8k h PHE 10 N 0.00 0.48 -0.18 2.13 0.04 -1.85 -1.62 116.94 115.93 1d8k h PHE 10 Ca 0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1d8k h PHE 10 Cb 0.00 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1d8k h PHE 10 CO 0.00 0.39 0.05 0.78 -0.60 0.00 0.00 178.31 178.92 1d8k h GLY 11 N 0.43 0.21 0.71 -1.45 0.00 -1.84 0.18 103.07 101.30 1d8k h GLY 11 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1d8k h GLY 11 CO -0.02 0.01 -0.10 -2.08 0.00 0.00 0.00 176.54 174.35 1d8k h VAL 12 N 0.12 0.73 -0.75 4.60 2.07 -1.73 -0.89 116.25 120.40 1d8k h VAL 12 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1d8k h VAL 12 Cb 0.06 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1d8k h VAL 12 CO -0.09 0.00 0.46 0.25 0.02 0.00 0.00 177.57 178.20 1d8k h LEU 13 N -0.17 0.90 -0.55 2.57 5.85 -1.01 -1.35 115.31 121.55 1d8k h LEU 13 Ca 0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1d8k h LEU 13 Cb 0.23 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1d8k h LEU 13 CO -0.12 0.69 0.28 0.00 -0.34 0.00 0.00 178.44 178.95 1d8k h ALA 14 N 1.24 0.71 -0.47 1.25 0.00 -0.28 0.53 119.26 122.24 1d8k h ALA 14 Ca 0.27 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1d8k h ALA 14 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1d8k h ALA 14 CO -0.05 0.26 -0.08 -0.22 0.00 0.00 0.00 179.25 179.16 1d8k h LYS 15 N 0.75 0.84 0.06 0.00 3.64 -0.88 0.15 116.57 121.13 1d8k h LYS 15 Ca 0.19 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1d8k h LYS 15 Cb 0.09 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1d8k h LYS 15 CO -0.03 0.89 -0.03 0.82 -2.27 0.00 0.00 179.45 178.83 1d8k h ILE 16 N 0.76 1.07 -0.68 2.00 2.04 -0.82 0.40 117.51 122.29 1d8k h ILE 16 Ca 0.13 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.57 1d8k h ILE 16 Cb 0.57 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1d8k h ILE 16 CO 0.03 0.11 0.42 0.58 0.00 0.00 0.00 178.15 179.30 1d8k h VAL 17 N -0.28 1.09 -0.01 1.67 2.07 -0.75 0.64 116.25 120.67 1d8k h VAL 17 Ca -0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1d8k h VAL 17 Cb 0.25 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1d8k h VAL 17 CO 0.01 0.15 0.00 -1.13 0.02 0.00 0.00 177.57 176.63 1d8k h ASN 18 N 0.83 0.01 0.27 0.57 -0.73 -0.82 -0.13 115.58 115.58 1d8k h ASN 18 Ca 0.27 -0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 1d8k h ASN 18 Cb 0.02 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1d8k h ASN 18 CO -0.11 0.11 -0.19 0.22 -0.37 0.00 0.00 177.43 177.10 1d8k h TYR 19 N -0.09 -0.49 -0.79 0.67 3.20 -0.59 -0.50 116.97 118.37 1d8k h TYR 19 Ca 0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1d8k h TYR 19 Cb 0.11 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 1d8k h TYR 19 CO -0.04 -0.29 0.44 0.52 -1.64 0.00 0.00 178.16 177.15 1d8k h MET 20 N -0.45 0.71 0.62 1.82 2.86 -0.82 0.80 114.93 120.47 1d8k h MET 20 Ca -0.02 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1d8k h MET 20 Cb 0.39 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.90 1d8k h MET 20 CO 0.01 0.47 -0.30 -0.22 1.06 0.00 0.00 176.91 177.93 1d8k h LYS 21 N 0.74 -0.80 -0.81 1.72 3.64 -0.66 0.08 116.57 120.48 1d8k h LYS 21 Ca 0.39 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.99 1d8k h LYS 21 Cb 0.37 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.27 1d8k h LYS 21 CO -0.26 -0.54 0.33 1.15 -2.27 0.00 0.00 179.45 177.86 1d8k h THR 22 N -0.83 0.58 -0.28 1.00 2.02 -0.81 0.56 112.91 115.15 1d8k h THR 22 Ca -0.09 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1d8k h THR 22 Cb 0.64 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1d8k h THR 22 CO 0.14 0.08 0.08 -0.09 0.37 0.00 0.00 175.52 176.10 1d8k h ARG 23 N 0.42 0.44 -0.11 6.66 2.43 -0.79 -0.09 114.38 123.34 1d8k h ARG 23 Ca 0.47 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.49 1d8k h ARG 23 Cb 0.78 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1d8k h ARG 23 CO -0.46 0.51 -0.12 1.25 -1.51 0.00 0.00 179.97 179.64 1d8k h HIS 24 N 0.29 0.18 -0.29 2.20 2.76 0.62 -2.15 115.15 118.76 1d8k h HIS 24 Ca 0.09 -0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.07 1d8k h HIS 24 Cb 0.26 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 1d8k h HIS 24 CO 0.01 0.30 -0.49 0.37 -1.30 0.00 0.00 177.93 176.82 1d8k h GLN 25 N 0.16 0.80 0.01 5.26 4.15 0.57 -3.23 115.11 122.84 1d8k h GLN 25 Ca 0.03 -0.47 -0.00 0.00 0.77 0.00 0.00 58.65 58.98 1d8k h GLN 25 Cb 0.33 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1d8k h GLN 25 CO 0.02 1.10 -0.01 0.00 -1.93 0.00 0.00 178.83 178.01 1d8k h ARG 26 N 0.63 -0.02 0.00 1.69 3.08 -0.45 -3.47 114.38 115.84 1d8k h ARG 26 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1d8k h ARG 26 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1d8k h ARG 26 CO 0.11 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.60 1d8k n GLY 27 N -0.58 0.29 2.97 0.04 0.00 -0.86 -5.05 105.19 102.00 1d8k n GLY 27 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1d8k n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d8k n ASP 28 N 0.00 3.52 0.00 1.61 9.92 -0.93 -4.61 116.55 126.07 1d8k n ASP 28 Ca 0.00 -2.79 0.15 0.00 -0.53 0.00 0.00 54.79 51.62 1d8k n ASP 28 Cb 0.00 -1.51 0.76 0.00 -0.64 0.00 0.00 41.12 39.74 1d8k n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1d8k n THR 29 N 5.64 0.00 -1.21 -3.53 -2.24 -1.26 -3.55 114.28 108.14 1d8k n THR 29 Ca 0.51 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.96 1d8k n THR 29 Cb 0.41 -0.50 0.11 0.00 -2.10 0.00 0.00 70.33 68.24 1d8k n THR 29 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1d8k s HIS 30 N -2.56 2.08 0.73 4.78 -3.43 -1.26 -4.49 115.29 111.14 1d8k s HIS 30 Ca 0.29 1.65 -0.12 0.00 -0.80 0.00 0.00 55.06 56.08 1d8k s HIS 30 Cb 0.20 -3.31 0.03 0.00 -1.43 0.00 0.00 32.58 28.07 1d8k s HIS 30 CO 0.46 -2.41 1.10 -1.25 -2.00 0.00 0.00 174.74 170.64 1d8k s PRO 31 N -4.36 2.49 0.01 -0.38 0.04 -1.26 -4.74 135.00 126.80 1d8k s PRO 31 Ca 0.69 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1d8k s PRO 31 Cb -0.24 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1d8k s PRO 31 CO 0.51 -1.47 -0.03 -0.51 0.04 0.00 0.00 177.00 175.54 1d8k s LEU 32 N -5.53 2.07 1.10 -3.56 1.43 -0.08 -4.88 118.68 109.23 1d8k s LEU 32 Ca 0.63 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 1d8k s LEU 32 Cb -0.18 -0.08 0.25 0.00 0.03 0.00 0.00 46.19 46.21 1d8k s LEU 32 CO 0.51 -0.05 1.05 0.42 0.23 0.00 0.00 176.35 178.51 1d8k s THR 33 N -0.43 2.05 0.08 5.49 -4.23 -1.26 -0.79 115.64 116.54 1d8k s THR 33 Ca -0.03 0.01 -0.35 0.00 -1.18 0.00 0.00 61.69 60.14 1d8k s THR 33 Cb -0.03 -2.24 -0.18 0.00 1.34 0.00 0.00 72.50 71.39 1d8k s THR 33 CO -0.00 -0.02 1.58 0.25 -0.54 0.00 0.00 174.62 175.89 1d8k h LEU 34 N -2.35 -1.18 -1.02 4.79 7.12 -1.94 -2.52 115.31 118.21 1d8k h LEU 34 Ca -0.59 0.08 0.06 0.00 0.13 0.00 0.00 57.88 57.56 1d8k h LEU 34 Cb 1.33 0.36 -0.06 0.00 -0.53 0.00 0.00 40.66 41.76 1d8k h LEU 34 CO 0.53 -0.67 0.65 0.44 -0.13 0.00 0.00 178.44 179.26 1d8k h ASP 35 N -1.04 1.05 -0.88 1.25 3.32 -1.99 -0.63 116.42 117.49 1d8k h ASP 35 Ca -0.08 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.07 1d8k h ASP 35 Cb 0.86 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 1d8k h ASP 35 CO 0.04 0.68 0.57 -0.33 -1.72 0.00 0.00 179.24 178.48 1d8k h GLU 36 N 1.19 0.84 -0.16 3.56 5.08 -1.87 -1.33 114.58 121.89 1d8k h GLU 36 Ca 0.42 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.63 1d8k h GLU 36 Cb 0.13 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1d8k h GLU 36 CO -0.16 0.56 -0.32 0.82 -1.00 0.00 0.00 179.01 178.91 1d8k h ILE 37 N 0.87 1.35 -0.44 3.13 2.04 -0.72 -3.27 117.51 120.47 1d8k h ILE 37 Ca 0.41 -1.57 0.07 0.00 1.00 0.00 0.00 64.86 64.77 1d8k h ILE 37 Cb 0.42 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1d8k h ILE 37 CO -0.17 0.47 0.08 -0.07 0.00 0.00 0.00 178.15 178.46 1d8k h LEU 38 N 0.12 -0.00 -0.06 1.44 3.38 -0.31 -2.09 115.31 117.79 1d8k h LEU 38 Ca 0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1d8k h LEU 38 Cb 0.91 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1d8k h LEU 38 CO 0.07 0.03 -0.48 -0.78 0.09 0.00 0.00 178.44 177.37 1d8k h ASP 39 N 0.22 -1.50 -0.39 -0.43 3.58 -1.33 0.32 116.42 116.88 1d8k h ASP 39 Ca 0.22 0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 1d8k h ASP 39 Cb 0.28 0.58 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1d8k h ASP 39 CO -0.29 -0.45 0.09 -0.33 -2.88 0.00 0.00 179.24 175.39 1d8k h GLU 40 N -0.56 0.72 0.00 0.28 5.08 -1.62 -1.47 114.58 117.01 1d8k h GLU 40 Ca 0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1d8k h GLU 40 Cb 0.62 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1d8k h GLU 40 CO -0.35 0.67 0.00 0.25 -1.00 0.00 0.00 179.01 178.57 1d8k n THR 41 N -4.28 0.13 -3.06 1.13 -2.24 -0.80 -4.91 114.28 100.25 1d8k n THR 41 Ca 0.03 0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 1d8k n THR 41 Cb 0.23 -0.57 0.06 0.00 -2.10 0.00 0.00 70.33 67.94 1d8k n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1d8k n GLN 42 N -1.42 -4.84 -1.76 -0.78 7.27 0.87 -4.96 117.38 111.76 1d8k n GLN 42 Ca 0.09 0.58 -0.04 0.00 0.07 0.00 0.00 57.00 57.70 1d8k n GLN 42 Cb 0.28 -4.83 0.07 0.00 2.41 0.00 0.00 30.24 28.18 1d8k n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1d8k n HIS 43 N -3.47 1.01 0.05 3.69 8.25 0.25 -4.84 115.22 120.16 1d8k n HIS 43 Ca -0.14 -1.60 -0.01 0.00 -0.26 0.00 0.00 57.72 55.71 1d8k n HIS 43 Cb 0.60 -0.24 0.26 0.00 1.12 0.00 0.00 29.99 31.72 1d8k n HIS 43 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1d8k h LEU 44 N 1.71 0.38 0.55 2.41 3.38 -1.89 -3.08 115.31 118.78 1d8k h LEU 44 Ca -0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1d8k h LEU 44 Cb 1.43 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.08 1d8k h LEU 44 CO 0.26 0.61 -0.27 -0.78 0.09 0.00 0.00 178.44 178.36 1d8k h ASP 45 N 0.35 -0.63 0.00 -0.43 3.58 -1.94 -3.44 116.42 113.91 1d8k h ASP 45 Ca 0.06 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1d8k h ASP 45 Cb 0.58 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1d8k h ASP 45 CO 0.04 -0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.15 1d8k n ILE 46 N -5.13 0.00 0.00 2.25 3.06 -1.17 -4.66 119.36 113.72 1d8k n ILE 46 Ca -0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1d8k n ILE 46 Cb 0.29 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.47 1d8k n ILE 46 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1d8k n GLY 47 N 0.00 4.09 0.26 4.50 0.00 -1.26 -4.75 105.19 108.02 1d8k n GLY 47 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.81 1d8k n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d8k h LEU 48 N 0.00 0.31 -0.45 0.99 5.85 -1.99 0.97 115.31 120.99 1d8k h LEU 48 Ca 0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1d8k h LEU 48 Cb 0.00 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1d8k h LEU 48 CO 0.00 0.15 0.29 0.11 -0.34 0.00 0.00 178.44 178.66 1d8k h LYS 49 N 0.47 0.58 0.11 1.25 1.57 -1.99 0.67 116.57 119.23 1d8k h LYS 49 Ca 0.37 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1d8k h LYS 49 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1d8k h LYS 49 CO -0.34 0.38 -0.05 1.96 -0.57 0.00 0.00 179.45 180.83 1d8k h GLN 50 N 0.59 -0.14 -0.56 3.15 4.20 -1.58 -0.27 115.11 120.50 1d8k h GLN 50 Ca 0.17 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.97 1d8k h GLN 50 Cb -0.05 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.69 1d8k h GLN 50 CO -0.05 0.20 0.21 -0.22 -0.67 0.00 0.00 178.83 178.30 1d8k h LYS 51 N -0.49 0.38 -0.12 1.46 3.64 -0.75 0.14 116.57 120.83 1d8k h LYS 51 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1d8k h LYS 51 Cb 0.40 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1d8k h LYS 51 CO 0.02 0.25 0.04 0.37 -2.27 0.00 0.00 179.45 177.87 1d8k h GLN 52 N 0.39 0.10 -0.48 1.90 4.15 -0.80 -0.36 115.11 120.01 1d8k h GLN 52 Ca 0.28 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.77 1d8k h GLN 52 Cb 0.32 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 1d8k h GLN 52 CO -0.28 0.07 0.13 2.35 -1.93 0.00 0.00 178.83 179.17 1d8k h TRP 53 N 0.11 0.23 -0.77 3.99 7.01 -0.10 -0.83 115.95 125.57 1d8k h TRP 53 Ca 0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1d8k h TRP 53 Cb 0.03 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 1d8k h TRP 53 CO -0.10 0.05 0.43 -0.07 -2.79 0.00 0.00 178.44 175.95 1d8k h LEU 54 N 0.29 0.96 -0.74 0.65 3.38 -0.64 0.25 115.31 119.46 1d8k h LEU 54 Ca 0.24 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1d8k h LEU 54 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1d8k h LEU 54 CO -0.28 0.78 -0.13 -0.03 0.09 0.00 0.00 178.44 178.87 1d8k h MET 55 N 1.07 0.83 0.00 1.13 4.05 0.07 0.66 114.93 122.73 1d8k h MET 55 Ca 0.27 -0.29 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1d8k h MET 55 Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1d8k h MET 55 CO -0.04 0.91 -1.73 -2.37 0.23 0.00 0.00 176.91 173.91 1d8k n THR 56 N -4.15 0.25 0.00 -0.77 5.66 -0.43 -4.68 114.28 110.17 1d8k n THR 56 Ca 0.01 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1d8k n THR 56 Cb 0.39 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1d8k n THR 56 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1d8k n GLU 57 N -2.14 0.00 0.07 1.09 2.13 0.83 -4.64 120.64 117.97 1d8k n GLU 57 Ca -0.08 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.68 1d8k n GLU 57 Cb 0.53 -0.13 -0.04 0.00 0.27 0.00 0.00 31.44 32.07 1d8k n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d8k h ALA 58 N -0.78 -0.79 0.00 4.31 0.00 -1.50 0.45 119.26 120.95 1d8k h ALA 58 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1d8k h ALA 58 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1d8k h ALA 58 CO 0.00 -0.82 0.00 1.28 0.00 0.00 0.00 179.25 179.71 1d8k n LEU 59 N -3.48 2.95 0.00 0.00 4.77 0.22 -0.98 117.00 120.48 1d8k n LEU 59 Ca -0.04 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1d8k n LEU 59 Cb 0.15 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1d8k n LEU 59 CO 0.07 0.51 -0.17 0.52 -1.33 0.00 0.00 177.39 176.99 1d8k n VAL 60 N 0.68 0.00 0.33 4.08 0.31 -0.76 -4.73 118.33 118.24 1d8k n VAL 60 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1d8k n VAL 60 Cb 0.45 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 33.10 1d8k n VAL 60 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1d8k n ASN 61 N -1.61 1.03 -4.68 4.52 0.23 0.08 -4.99 115.26 109.84 1d8k n ASN 61 Ca 0.00 -0.54 -0.42 0.00 -0.53 0.00 0.00 54.58 53.09 1d8k n ASN 61 Cb 0.17 1.11 -0.03 0.00 -2.08 0.00 0.00 39.78 38.95 1d8k n ASN 61 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1d8k s ASN 62 N -2.20 6.59 0.60 0.53 3.84 -0.15 -4.88 114.94 119.27 1d8k s ASN 62 Ca 0.02 2.48 0.35 0.00 0.21 0.00 0.00 52.86 55.92 1d8k s ASN 62 Cb 0.07 -2.56 1.90 0.00 -0.55 0.00 0.00 41.25 40.11 1d8k s ASN 62 CO 0.39 -0.91 2.22 1.55 -2.79 0.00 0.00 177.10 177.57 1d8k h PRO 63 N 8.59 0.00 -0.58 0.43 0.13 -1.94 -1.83 132.00 136.80 1d8k h PRO 63 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1d8k h PRO 63 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1d8k h PRO 63 CO 0.93 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.37 1d8k n LYS 64 N -3.44 2.54 -4.52 0.86 5.02 -1.26 -4.68 118.16 112.68 1d8k n LYS 64 Ca -0.02 -1.64 -0.23 0.00 -2.02 0.00 0.00 58.31 54.39 1d8k n LYS 64 Cb 0.14 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.41 1d8k n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d8k s ILE 65 N -1.69 1.44 -0.15 -0.18 -1.09 -0.69 -1.19 121.20 117.65 1d8k s ILE 65 Ca 0.29 -1.12 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1d8k s ILE 65 Cb 0.19 -1.27 0.04 0.00 -1.58 0.00 0.00 42.46 39.84 1d8k s ILE 65 CO 0.15 0.12 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.25 1d8k s GLU 66 N -1.17 1.15 -0.08 2.79 2.56 -0.03 -4.54 118.70 119.38 1d8k s GLU 66 Ca 0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 54.97 54.34 1d8k s GLU 66 Cb -0.08 -1.83 -0.03 0.00 2.00 0.00 0.00 34.13 34.19 1d8k s GLU 66 CO 0.02 -0.44 1.17 0.08 -0.56 0.00 0.00 175.26 175.52 1d8k s VAL 67 N 1.74 4.37 -0.05 3.70 1.01 -1.26 -0.48 120.40 129.43 1d8k s VAL 67 Ca 0.01 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1d8k s VAL 67 Cb -0.15 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1d8k s VAL 67 CO -0.07 -0.02 0.05 -0.63 0.00 0.00 0.00 175.10 174.43 1d8k s ILE 68 N 2.35 -0.05 -1.46 2.22 1.01 -0.44 -4.87 121.20 119.96 1d8k s ILE 68 Ca 0.54 0.38 -0.08 0.00 0.00 0.00 0.00 60.65 61.49 1d8k s ILE 68 Cb -0.23 -0.20 0.05 0.00 0.01 0.00 0.00 42.46 42.09 1d8k s ILE 68 CO 0.20 0.18 0.79 -0.67 0.00 0.00 0.00 174.94 175.44 1d8k n ASP 69 N 5.28 -2.86 0.00 3.58 2.03 -1.26 -1.04 116.55 122.28 1d8k n ASP 69 Ca -0.04 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1d8k n ASP 69 Cb 0.50 -3.70 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 1d8k n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d8k n GLY 70 N -1.67 1.39 3.64 0.27 0.00 -1.26 -4.95 105.19 102.61 1d8k n GLY 70 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1d8k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d8k s LYS 71 N 0.00 -0.82 -0.09 1.61 1.02 -0.21 -4.91 119.74 116.35 1d8k s LYS 71 Ca 0.00 -0.02 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1d8k s LYS 71 Cb 0.00 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 1d8k s LYS 71 CO 0.00 -3.45 -0.12 0.71 -0.92 0.00 0.00 175.35 171.57 1d8k s TYR 72 N -3.09 1.62 0.48 3.18 2.02 0.02 -1.33 117.35 120.26 1d8k s TYR 72 Ca 0.70 -0.69 0.06 0.00 -0.37 0.00 0.00 57.07 56.77 1d8k s TYR 72 Cb -0.10 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.24 1d8k s TYR 72 CO 0.56 -0.38 0.28 0.00 -1.57 0.00 0.00 175.55 174.44 1d8k s ALA 73 N 0.95 4.07 -0.22 3.71 0.00 0.37 -0.90 121.76 129.73 1d8k s ALA 73 Ca -0.09 -1.51 -0.10 0.00 0.00 0.00 0.00 51.96 50.26 1d8k s ALA 73 Cb -0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1d8k s ALA 73 CO 0.00 -0.28 0.13 0.12 0.00 0.00 0.00 175.76 175.74 1d8k s PHE 74 N -2.69 3.31 -0.28 0.00 2.19 -1.26 -0.85 117.98 118.40 1d8k s PHE 74 Ca 0.35 0.18 -0.20 0.00 0.33 0.00 0.00 56.93 57.59 1d8k s PHE 74 Cb 0.00 -2.22 -0.01 0.00 -1.31 0.00 0.00 43.02 39.48 1d8k s PHE 74 CO 0.20 0.10 0.63 0.21 1.83 0.00 0.00 175.22 178.19 1d8k s LYS 75 N 0.85 4.02 0.58 10.12 2.20 -0.33 -4.75 119.74 132.43 1d8k s LYS 75 Ca 0.07 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.93 1d8k s LYS 75 Cb -0.13 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1d8k s LYS 75 CO 0.03 -0.48 1.23 -1.25 -0.36 0.00 0.00 175.35 174.51 1d8k s PRO 76 N 2.56 3.03 0.01 4.03 0.04 -1.26 -4.56 135.00 138.85 1d8k s PRO 76 Ca 0.26 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 1d8k s PRO 76 Cb -0.15 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1d8k s PRO 76 CO 0.10 -1.17 0.98 -0.22 0.04 0.00 0.00 177.00 176.72 1d8k h LYS 77 N 1.03 -0.58 0.00 4.56 3.64 -1.96 -3.44 116.57 119.82 1d8k h LYS 77 Ca -0.50 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1d8k h LYS 77 Cb 1.30 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1d8k h LYS 77 CO 0.56 -0.39 -0.03 0.98 -2.27 0.00 0.00 179.45 178.30 1d8k n TYR 78 N -4.08 0.00 0.00 1.91 4.19 -1.26 -5.14 117.16 112.78 1d8k n TYR 78 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 1d8k n TYR 78 Cb 0.24 0.11 0.00 0.00 0.49 0.00 0.00 39.34 40.18 1d8k n TYR 78 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1d8k n ASN 79 N 0.00 -1.02 -4.58 2.98 2.85 -1.26 -4.74 115.26 109.49 1d8k n ASN 79 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 1d8k n ASN 79 Cb 0.51 0.95 -0.02 0.00 1.24 0.00 0.00 39.78 42.46 1d8k n ASN 79 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1d8k s VAL 80 N -1.87 3.93 0.00 3.44 1.01 -1.26 -5.21 120.40 120.45 1d8k s VAL 80 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1d8k s VAL 80 Cb 0.00 -4.99 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1d8k s VAL 80 CO 0.00 -1.75 0.00 0.54 0.00 0.00 0.00 175.10 173.89