#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j s LEU 2 N 0.00 1.39 -1.23 0.00 2.96 -1.26 -4.89 118.68 115.66 1d8j s LEU 2 Ca 0.00 0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1d8j s LEU 2 Cb 0.00 0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.98 1d8j s LEU 2 CO 0.00 -0.07 0.75 -1.20 -1.32 0.00 0.00 176.35 174.52 1d8j n SER 3 N 3.38 -3.02 0.00 3.68 7.64 -1.26 -4.49 113.62 119.54 1d8j n SER 3 Ca -0.17 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1d8j n SER 3 Cb 0.57 -4.05 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8j n GLY 4 N -1.55 0.89 3.63 0.23 0.00 -1.26 -4.83 105.19 102.29 1d8j n GLY 4 Ca -0.21 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.02 1d8j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1d8j s SER 5 N -4.00 -0.88 -0.01 1.61 0.15 -1.26 -4.77 113.70 104.54 1d8j s SER 5 Ca 0.00 1.36 -0.06 0.00 0.70 0.00 0.00 55.95 57.95 1d8j s SER 5 Cb 0.00 1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 65.77 1d8j s SER 5 CO 0.00 -0.21 0.50 0.77 1.20 0.00 0.00 173.24 175.50 1d8j h SER 6 N 6.98 -0.18 0.00 5.45 4.64 -1.92 -3.47 113.55 125.05 1d8j h SER 6 Ca -0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1d8j h SER 6 Cb 1.20 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1d8j h SER 6 CO 0.16 -0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1d8j n GLY 7 N 0.61 -0.98 2.07 -0.77 0.00 -1.26 -5.04 105.19 99.83 1d8j n GLY 7 Ca -0.03 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 1d8j n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1d8j n TYR 8 N 0.00 0.04 0.00 1.61 4.11 -1.26 -3.00 117.16 118.66 1d8j n TYR 8 Ca 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 57.90 56.57 1d8j n TYR 8 Cb 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 39.34 37.88 1d8j n TYR 8 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1d8j n LYS 9 N 2.59 0.00 -0.12 -3.48 2.85 -1.26 -4.91 118.16 113.84 1d8j n LYS 9 Ca 0.38 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.52 1d8j n LYS 9 Cb 0.79 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.14 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1d8j h PHE 10 N 0.00 0.87 -0.00 5.58 0.04 -1.97 -0.61 116.94 120.84 1d8j h PHE 10 Ca 0.00 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1d8j h PHE 10 Cb 0.00 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 1d8j h PHE 10 CO 0.00 0.96 0.00 0.78 -0.60 0.00 0.00 178.31 179.45 1d8j h GLY 11 N 0.53 0.01 0.96 -1.45 0.00 -1.91 0.15 103.07 101.36 1d8j h GLY 11 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1d8j h GLY 11 CO 0.06 0.00 0.21 -2.08 0.00 0.00 0.00 176.54 174.73 1d8j h VAL 12 N -0.04 1.16 -0.44 4.60 2.07 -1.80 -1.01 116.25 120.79 1d8j h VAL 12 Ca 0.00 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1d8j h VAL 12 Cb 0.05 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1d8j h VAL 12 CO -0.00 0.17 0.24 0.25 0.02 0.00 0.00 177.57 178.25 1d8j h LEU 13 N 0.50 0.38 -0.65 2.57 5.85 -0.93 0.64 115.31 123.68 1d8j h LEU 13 Ca 0.14 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1d8j h LEU 13 Cb 0.08 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1d8j h LEU 13 CO -0.02 0.27 0.38 0.00 -0.34 0.00 0.00 178.44 178.73 1d8j h ALA 14 N 1.21 0.83 -0.49 1.25 0.00 -0.71 0.49 119.26 121.83 1d8j h ALA 14 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1d8j h ALA 14 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1d8j h ALA 14 CO -0.10 0.31 0.23 -0.22 0.00 0.00 0.00 179.25 179.48 1d8j h LYS 15 N 0.88 0.72 0.10 0.00 3.64 -0.65 -0.30 116.57 120.97 1d8j h LYS 15 Ca 0.23 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1d8j h LYS 15 Cb -0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1d8j h LYS 15 CO -0.04 0.61 -0.05 0.82 -2.27 0.00 0.00 179.45 178.52 1d8j h ILE 16 N 0.65 0.93 -0.42 2.00 2.04 -0.46 -0.06 117.51 122.19 1d8j h ILE 16 Ca 0.17 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1d8j h ILE 16 Cb 0.13 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1d8j h ILE 16 CO -0.02 0.02 0.10 0.58 0.00 0.00 0.00 178.15 178.83 1d8j h VAL 17 N -0.18 0.80 -0.15 1.67 2.07 -0.73 0.41 116.25 120.15 1d8j h VAL 17 Ca -0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1d8j h VAL 17 Cb 0.14 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1d8j h VAL 17 CO 0.02 0.04 0.10 -1.13 0.02 0.00 0.00 177.57 176.62 1d8j h ASN 18 N 0.23 0.17 0.58 0.57 -0.73 -0.81 -0.48 115.58 115.11 1d8j h ASN 18 Ca 0.20 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 1d8j h ASN 18 Cb 0.24 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1d8j h ASN 18 CO -0.25 0.13 -0.29 0.22 -0.37 0.00 0.00 177.43 176.87 1d8j h TYR 19 N 0.19 -0.76 -0.97 0.67 3.20 -0.53 -1.08 116.97 117.69 1d8j h TYR 19 Ca 0.05 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1d8j h TYR 19 Cb -0.01 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 1d8j h TYR 19 CO -0.06 -0.47 0.62 1.98 -1.64 0.00 0.00 178.16 178.59 1d8j h MET 20 N -0.80 1.00 -0.51 1.82 4.05 -0.87 0.39 114.93 120.01 1d8j h MET 20 Ca -0.08 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1d8j h MET 20 Cb 0.62 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1d8j h MET 20 CO 0.12 0.66 0.26 -0.22 0.23 0.00 0.00 176.91 177.97 1d8j h LYS 21 N 1.03 0.72 -0.28 0.39 3.11 -0.83 0.19 116.57 120.90 1d8j h LYS 21 Ca 0.44 -0.09 -0.04 0.00 -2.81 0.00 0.00 60.65 58.15 1d8j h LYS 21 Cb 0.33 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1d8j h LYS 21 CO -0.20 0.58 0.01 1.15 -2.81 0.00 0.00 179.45 178.18 1d8j h THR 22 N 0.68 1.25 -0.52 1.00 2.02 0.22 0.17 112.91 117.73 1d8j h THR 22 Ca 0.18 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.35 1d8j h THR 22 Cb 0.08 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1d8j h THR 22 CO -0.03 0.29 -0.10 -0.09 0.37 0.00 0.00 175.52 175.97 1d8j h ARG 23 N 0.29 0.99 -0.45 6.66 2.43 -0.88 -2.76 114.38 120.66 1d8j h ARG 23 Ca 0.08 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1d8j h ARG 23 Cb 0.41 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1d8j h ARG 23 CO 0.01 1.04 0.26 1.25 -1.51 0.00 0.00 179.97 181.02 1d8j h HIS 24 N 0.86 0.60 0.00 2.20 2.76 -0.52 -2.92 115.15 118.13 1d8j h HIS 24 Ca 0.14 -0.01 -0.65 0.00 -2.20 0.00 0.00 60.37 57.65 1d8j h HIS 24 Cb 0.66 -0.19 0.03 0.00 1.55 0.00 0.00 27.41 29.45 1d8j h HIS 24 CO 0.05 0.44 3.76 0.94 -1.30 0.00 0.00 177.93 181.82 1d8j n GLN 25 N -4.71 3.58 0.03 5.26 -0.06 0.60 -3.37 117.38 118.70 1d8j n GLN 25 Ca 0.01 -2.14 0.00 0.00 -2.00 0.00 0.00 57.00 52.87 1d8j n GLN 25 Cb 0.07 -2.77 0.00 0.00 -4.06 0.00 0.00 30.24 23.48 1d8j n GLN 25 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1d8j n ARG 26 N 3.63 0.00 0.00 3.69 1.74 -1.11 -4.88 116.66 119.73 1d8j n ARG 26 Ca 0.76 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1d8j n ARG 26 Cb 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1d8j n GLY 27 N -1.40 -0.16 3.09 -0.13 0.00 -1.16 -5.04 105.19 100.38 1d8j n GLY 27 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1d8j n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d8j n ASP 28 N 0.00 3.69 0.04 1.61 8.00 -1.21 -4.60 116.55 124.08 1d8j n ASP 28 Ca 0.00 -2.80 0.13 0.00 0.71 0.00 0.00 54.79 52.83 1d8j n ASP 28 Cb 0.00 -1.56 0.46 0.00 -0.02 0.00 0.00 41.12 40.00 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1d8j n THR 29 N 5.89 0.25 -1.49 -3.53 -2.24 -1.26 -3.79 114.28 108.11 1d8j n THR 29 Ca 0.50 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.81 1d8j n THR 29 Cb 0.42 -0.42 0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1d8j n THR 29 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1d8j s HIS 30 N -3.05 2.14 0.73 4.78 -3.43 -1.26 -4.52 115.29 110.68 1d8j s HIS 30 Ca 0.12 1.59 -0.12 0.00 -0.80 0.00 0.00 55.06 55.85 1d8j s HIS 30 Cb 0.16 -3.42 0.04 0.00 -1.43 0.00 0.00 32.58 27.92 1d8j s HIS 30 CO 0.59 -2.46 1.10 -1.25 -2.00 0.00 0.00 174.74 170.72 1d8j s PRO 31 N -3.94 2.44 0.06 -0.38 0.04 -1.26 -4.80 135.00 127.17 1d8j s PRO 31 Ca 0.73 1.26 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1d8j s PRO 31 Cb -0.28 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1d8j s PRO 31 CO 0.45 -1.51 -0.11 -0.51 0.04 0.00 0.00 177.00 175.35 1d8j s LEU 32 N -5.54 2.26 1.07 -3.56 1.43 0.01 -4.78 118.68 109.58 1d8j s LEU 32 Ca 0.63 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1d8j s LEU 32 Cb -0.18 -0.36 0.23 0.00 0.03 0.00 0.00 46.19 45.91 1d8j s LEU 32 CO 0.51 -0.13 1.07 0.42 0.23 0.00 0.00 176.35 178.45 1d8j s THR 33 N -1.29 2.09 0.09 5.49 -4.23 -1.26 -0.66 115.64 115.87 1d8j s THR 33 Ca -0.05 0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1d8j s THR 33 Cb -0.10 -2.13 -0.14 0.00 1.34 0.00 0.00 72.50 71.47 1d8j s THR 33 CO 0.01 -0.04 1.69 0.25 -0.54 0.00 0.00 174.62 176.00 1d8j h LEU 34 N -2.32 -0.33 -0.95 4.79 6.46 -1.95 -1.76 115.31 119.24 1d8j h LEU 34 Ca -0.56 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.24 1d8j h LEU 34 Cb 1.31 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.30 1d8j h LEU 34 CO 0.49 -0.21 0.63 0.44 -0.62 0.00 0.00 178.44 179.17 1d8j h ASP 35 N -0.32 1.09 -0.69 1.25 5.19 -1.99 0.14 116.42 121.09 1d8j h ASP 35 Ca -0.01 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1d8j h ASP 35 Cb 0.28 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.47 1d8j h ASP 35 CO 0.01 0.79 0.42 -0.33 -3.12 0.00 0.00 179.24 177.01 1d8j h GLU 36 N 1.29 0.78 -0.44 3.56 5.08 -1.86 -0.25 114.58 122.74 1d8j h GLU 36 Ca 0.35 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1d8j h GLU 36 Cb -0.15 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1d8j h GLU 36 CO -0.08 0.52 0.12 0.82 -1.00 0.00 0.00 179.01 179.39 1d8j h ILE 37 N 0.80 1.23 0.08 3.13 2.04 -0.48 -3.10 117.51 121.21 1d8j h ILE 37 Ca 0.29 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1d8j h ILE 37 Cb 0.07 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1d8j h ILE 37 CO -0.13 0.28 -0.15 -0.07 0.00 0.00 0.00 178.15 178.08 1d8j h LEU 38 N 0.58 -0.40 -0.54 1.44 3.38 -0.26 -2.56 115.31 116.95 1d8j h LEU 38 Ca 0.14 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1d8j h LEU 38 Cb 0.29 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1d8j h LEU 38 CO -0.00 -0.21 -0.44 -0.78 0.09 0.00 0.00 178.44 177.09 1d8j h ASP 39 N -0.29 -1.52 -0.46 -0.43 3.58 -0.37 0.28 116.42 117.22 1d8j h ASP 39 Ca 0.02 0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 1d8j h ASP 39 Cb 0.31 0.68 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 1d8j h ASP 39 CO -0.08 -0.34 0.29 -0.33 -2.88 0.00 0.00 179.24 175.89 1d8j h GLU 40 N -0.25 0.62 -0.11 0.28 5.08 -1.47 -0.85 114.58 117.87 1d8j h GLU 40 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1d8j h GLU 40 Cb 0.57 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1d8j h GLU 40 CO -0.66 0.43 0.00 0.25 -1.00 0.00 0.00 179.01 178.03 1d8j n THR 41 N -4.44 0.15 -2.96 1.13 -2.24 -0.13 -4.86 114.28 100.92 1d8j n THR 41 Ca 0.04 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1d8j n THR 41 Cb 0.07 0.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1d8j n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d8j n GLN 42 N -0.18 -3.79 -4.32 -0.78 6.02 -0.33 -5.03 117.38 108.98 1d8j n GLN 42 Ca 0.06 0.45 -0.17 0.00 -0.01 0.00 0.00 57.00 57.34 1d8j n GLN 42 Cb 0.11 -4.35 -0.10 0.00 1.02 0.00 0.00 30.24 26.92 1d8j n GLN 42 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1d8j s HIS 43 N -3.08 1.54 0.00 1.08 3.76 0.81 -5.00 115.29 114.39 1d8j s HIS 43 Ca 0.27 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1d8j s HIS 43 Cb -0.12 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1d8j s HIS 43 CO 0.33 -0.15 0.00 1.28 -0.85 0.00 0.00 174.74 175.36 1d8j n LEU 44 N -0.43 0.00 -0.07 0.89 4.77 -1.26 -1.92 117.00 118.98 1d8j n LEU 44 Ca -0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.98 1d8j n LEU 44 Cb 0.65 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.94 1d8j n LEU 44 CO 0.37 0.00 0.63 -0.90 -1.33 0.00 0.00 177.39 176.16 1d8j n ASP 45 N 0.00 0.20 -4.48 -1.43 5.75 -1.26 -4.92 116.55 110.41 1d8j n ASP 45 Ca 0.00 -1.80 -0.40 0.00 -0.01 0.00 0.00 54.79 52.58 1d8j n ASP 45 Cb 0.00 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1d8j n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d8j n ILE 46 N -0.49 2.09 -1.58 2.12 3.06 -1.26 -4.81 119.36 118.49 1d8j n ILE 46 Ca 0.06 -0.50 -0.50 0.00 -2.50 0.00 0.00 62.75 59.31 1d8j n ILE 46 Cb 0.05 -0.69 -0.04 0.00 0.54 0.00 0.00 39.64 39.50 1d8j n ILE 46 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1d8j n GLY 47 N 1.69 0.15 0.34 4.50 0.00 -1.26 -4.73 105.19 105.88 1d8j n GLY 47 Ca 0.11 0.57 0.15 0.00 0.00 0.00 0.00 46.02 46.85 1d8j n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d8j h LEU 48 N 3.64 0.11 -0.49 0.99 5.85 -1.97 -0.23 115.31 123.21 1d8j h LEU 48 Ca -0.44 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1d8j h LEU 48 Cb 1.34 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1d8j h LEU 48 CO 0.72 0.06 0.27 0.11 -0.34 0.00 0.00 178.44 179.26 1d8j h LYS 49 N 0.12 0.52 -0.10 1.25 1.79 -1.99 0.16 116.57 118.31 1d8j h LYS 49 Ca 0.20 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1d8j h LYS 49 Cb 0.63 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1d8j h LYS 49 CO -0.02 0.34 -0.06 1.96 -1.08 0.00 0.00 179.45 180.59 1d8j h GLN 50 N 0.53 0.22 -0.70 3.15 7.50 -1.41 -0.01 115.11 124.39 1d8j h GLN 50 Ca 0.21 -0.10 0.08 0.00 0.50 0.00 0.00 58.65 59.34 1d8j h GLN 50 Cb 0.08 -0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.54 1d8j h GLN 50 CO -0.12 0.58 0.37 -0.22 -1.50 0.00 0.00 178.83 177.94 1d8j h LYS 51 N -0.15 0.63 0.05 1.46 3.64 -1.09 0.18 116.57 121.30 1d8j h LYS 51 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1d8j h LYS 51 Cb 0.52 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1d8j h LYS 51 CO 0.02 0.42 -0.02 0.37 -2.27 0.00 0.00 179.45 177.96 1d8j h GLN 52 N 0.65 -0.06 -0.57 1.90 4.15 -0.64 -2.60 115.11 117.94 1d8j h GLN 52 Ca 0.33 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.83 1d8j h GLN 52 Cb 0.28 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 1d8j h GLN 52 CO -0.23 0.26 0.24 2.35 -1.93 0.00 0.00 178.83 179.53 1d8j h TRP 53 N -0.39 0.43 -0.74 3.99 7.01 -0.53 0.75 115.95 126.47 1d8j h TRP 53 Ca -0.01 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.09 1d8j h TRP 53 Cb 0.35 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1d8j h TRP 53 CO 0.03 0.15 0.42 -0.07 -2.79 0.00 0.00 178.44 176.19 1d8j h LEU 54 N 0.45 0.61 0.02 0.65 3.38 -0.61 0.14 115.31 119.95 1d8j h LEU 54 Ca 0.28 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1d8j h LEU 54 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1d8j h LEU 54 CO -0.25 0.38 -0.01 -0.03 0.09 0.00 0.00 178.44 178.62 1d8j h MET 55 N 0.74 -0.02 -0.55 1.13 4.05 -0.83 -0.96 114.93 118.50 1d8j h MET 55 Ca 0.34 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.63 1d8j h MET 55 Cb 0.26 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.98 1d8j h MET 55 CO -0.21 0.55 0.13 0.25 0.23 0.00 0.00 176.91 177.86 1d8j n THR 56 N -4.82 2.71 0.03 -0.77 -2.24 0.14 -4.41 114.28 104.91 1d8j n THR 56 Ca -0.09 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 1d8j n THR 56 Cb 0.29 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1d8j n GLU 57 N -0.32 0.00 0.11 -0.78 2.13 0.32 -4.97 120.64 117.13 1d8j n GLU 57 Ca 0.34 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.10 1d8j n GLU 57 Cb 1.20 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.87 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d8j h ALA 58 N 0.00 -0.91 -0.69 4.31 0.00 -1.16 0.31 119.26 121.12 1d8j h ALA 58 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1d8j h ALA 58 Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1d8j h ALA 58 CO 0.00 -0.92 0.28 -0.07 0.00 0.00 0.00 179.25 178.55 1d8j h LEU 59 N -0.35 0.94 -0.84 0.00 3.38 -1.40 -2.72 115.31 114.32 1d8j h LEU 59 Ca -0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1d8j h LEU 59 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1d8j h LEU 59 CO -0.01 0.85 0.03 -0.37 0.09 0.00 0.00 178.44 179.03 1d8j h VAL 60 N 0.98 1.25 -2.20 1.22 -1.51 -1.72 -3.14 116.25 111.12 1d8j h VAL 60 Ca 0.23 -1.03 -0.78 0.00 -1.23 0.00 0.00 66.70 63.89 1d8j h VAL 60 Cb 0.19 0.81 -0.28 0.00 -2.13 0.00 0.00 31.29 29.88 1d8j h VAL 60 CO -0.02 0.37 0.89 0.59 -1.23 0.00 0.00 177.57 178.17 1d8j n ASN 61 N -4.21 7.14 -3.49 4.19 5.03 0.09 -4.88 115.26 119.14 1d8j n ASN 61 Ca 0.03 -3.71 -0.13 0.00 0.87 0.00 0.00 54.58 51.63 1d8j n ASN 61 Cb 0.30 -1.10 -0.11 0.00 -1.02 0.00 0.00 39.78 37.85 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1d8j s ASN 62 N -1.49 0.66 0.56 6.41 3.84 -1.18 -4.85 114.94 118.89 1d8j s ASN 62 Ca 0.42 0.18 0.24 0.00 0.21 0.00 0.00 52.86 53.91 1d8j s ASN 62 Cb 0.24 0.77 1.53 0.00 -0.55 0.00 0.00 41.25 43.24 1d8j s ASN 62 CO -0.18 -0.29 2.14 -0.65 -2.79 0.00 0.00 177.10 175.33 1d8j h PRO 63 N 8.25 0.00 0.00 0.43 0.11 -1.89 0.08 132.00 138.98 1d8j h PRO 63 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1d8j h PRO 63 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1d8j h PRO 63 CO 0.24 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.66 1d8j n LYS 64 N -4.14 0.36 -5.26 1.05 5.02 -1.26 -4.65 118.16 109.29 1d8j n LYS 64 Ca 0.00 0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1d8j n LYS 64 Cb 0.23 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1d8j n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d8j s ILE 65 N -2.51 2.00 -0.14 -0.18 -1.09 0.01 -0.76 121.20 118.53 1d8j s ILE 65 Ca 0.23 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1d8j s ILE 65 Cb 0.15 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.39 1d8j s ILE 65 CO 0.34 0.56 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.80 1d8j s GLU 66 N -0.42 1.96 0.06 2.79 2.12 0.35 -4.75 118.70 120.80 1d8j s GLU 66 Ca 0.05 -0.45 -0.19 0.00 0.36 0.00 0.00 54.97 54.73 1d8j s GLU 66 Cb -0.11 -1.91 -0.06 0.00 0.26 0.00 0.00 34.13 32.30 1d8j s GLU 66 CO 0.01 -0.26 0.57 0.08 -0.54 0.00 0.00 175.26 175.12 1d8j s VAL 67 N 1.58 4.78 0.00 3.70 1.01 -1.26 -0.98 120.40 129.21 1d8j s VAL 67 Ca 0.05 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1d8j s VAL 67 Cb -0.13 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1d8j s VAL 67 CO -0.10 0.53 0.00 -0.38 0.00 0.00 0.00 175.10 175.15 1d8j n ILE 68 N 1.91 0.00 -1.37 2.22 5.41 -1.08 -4.92 119.36 121.52 1d8j n ILE 68 Ca -0.10 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.36 1d8j n ILE 68 Cb 0.51 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.36 1d8j n ILE 68 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1d8j n ASP 69 N 0.00 7.17 0.00 4.38 2.03 -1.26 -4.67 116.55 124.19 1d8j n ASP 69 Ca 0.00 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.56 1d8j n ASP 69 Cb 0.00 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 1d8j n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d8j n GLY 70 N 2.46 0.94 3.78 0.27 0.00 -1.26 -4.94 105.19 106.45 1d8j n GLY 70 Ca 0.60 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 1d8j n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d8j s LYS 71 N 0.00 2.31 -0.17 1.61 1.02 -1.26 -4.95 119.74 118.31 1d8j s LYS 71 Ca 0.00 0.97 -0.04 0.00 0.02 0.00 0.00 55.97 56.92 1d8j s LYS 71 Cb 0.00 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1d8j s LYS 71 CO 0.00 -1.55 -0.02 0.71 -0.92 0.00 0.00 175.35 173.57 1d8j s TYR 72 N -2.99 3.05 0.31 3.18 1.51 0.16 -2.64 117.35 119.93 1d8j s TYR 72 Ca 0.60 -0.31 0.09 0.00 -1.01 0.00 0.00 57.07 56.44 1d8j s TYR 72 Cb -0.16 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 1d8j s TYR 72 CO 0.56 -0.07 0.03 0.00 -1.11 0.00 0.00 175.55 174.95 1d8j s ALA 73 N 0.53 3.23 -0.19 3.71 0.00 -0.16 -0.81 121.76 128.08 1d8j s ALA 73 Ca -0.02 -1.82 -0.17 0.00 0.00 0.00 0.00 51.96 49.94 1d8j s ALA 73 Cb -0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1d8j s ALA 73 CO 0.02 0.14 0.46 0.12 0.00 0.00 0.00 175.76 176.50 1d8j s PHE 74 N -2.43 3.39 -0.16 0.00 2.19 -1.26 -0.50 117.98 119.21 1d8j s PHE 74 Ca 0.34 0.72 -0.29 0.00 0.33 0.00 0.00 56.93 58.03 1d8j s PHE 74 Cb -0.03 -2.59 -0.01 0.00 -1.31 0.00 0.00 43.02 39.08 1d8j s PHE 74 CO 0.20 -0.02 1.08 0.21 1.83 0.00 0.00 175.22 178.52 1d8j s LYS 75 N 1.35 4.32 -0.11 10.12 2.20 0.06 -4.82 119.74 132.86 1d8j s LYS 75 Ca 0.22 1.45 -0.05 0.00 -0.36 0.00 0.00 55.97 57.23 1d8j s LYS 75 Cb -0.15 -3.61 -0.19 0.00 -1.51 0.00 0.00 37.83 32.36 1d8j s LYS 75 CO 0.09 -0.51 2.85 -0.35 -0.36 0.00 0.00 175.35 177.07 1d8j n PRO 76 N 5.78 1.65 0.00 4.03 -0.04 -1.26 -4.82 135.00 140.34 1d8j n PRO 76 Ca 0.11 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1d8j n PRO 76 Cb 0.47 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1d8j n PRO 76 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1d8j n LYS 77 N 2.74 0.00 -0.68 0.54 5.02 -1.26 -0.11 118.16 124.41 1d8j n LYS 77 Ca 0.35 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.65 1d8j n LYS 77 Cb 0.65 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.87 1d8j n LYS 77 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1d8j n TYR 78 N 0.00 0.61 -0.44 2.13 4.11 -1.26 -5.09 117.16 117.21 1d8j n TYR 78 Ca 0.00 -1.50 0.06 0.00 -0.00 0.00 0.00 57.90 56.46 1d8j n TYR 78 Cb 0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 39.34 38.95 1d8j n TYR 78 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1d8j n ASN 79 N -1.11 -2.65 -4.27 9.48 2.85 0.85 -4.43 115.26 115.97 1d8j n ASN 79 Ca 0.26 0.26 -0.43 0.00 -0.11 0.00 0.00 54.58 54.57 1d8j n ASN 79 Cb 0.88 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.50 1d8j n ASN 79 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1d8j n VAL 80 N -2.66 3.84 -0.59 3.44 0.31 -1.26 -5.04 118.33 116.37 1d8j n VAL 80 Ca -0.01 -3.84 0.00 0.00 -0.01 0.00 0.00 64.34 60.48 1d8j n VAL 80 Cb 0.21 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.69 1d8j n VAL 80 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37