#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j n LEU 2 N 0.00 -0.03 -2.70 0.00 -0.00 -1.26 -4.93 117.00 108.07 1d8j n LEU 2 Ca 0.00 -1.97 -0.07 0.00 -0.00 0.00 0.00 56.01 53.97 1d8j n LEU 2 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.53 1d8j n LEU 2 CO 0.00 1.00 0.49 -1.54 -0.00 0.00 0.00 177.39 177.34 1d8j n SER 3 N 0.23 -1.94 -2.65 1.45 3.41 -1.26 -4.98 113.62 107.87 1d8j n SER 3 Ca -0.11 -2.66 -0.05 0.00 -0.26 0.00 0.00 58.87 55.78 1d8j n SER 3 Cb 0.91 1.22 0.08 0.00 -0.26 0.00 0.00 64.21 66.15 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d8j n GLY 4 N -0.37 0.77 3.56 5.00 0.00 -1.26 -5.15 105.19 107.74 1d8j n GLY 4 Ca -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.89 -0.34 0.25 1.61 0.15 -1.26 -5.15 113.70 108.07 1d8j s SER 5 Ca 0.15 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1d8j s SER 5 Cb 0.30 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1d8j s SER 5 CO -0.07 -0.76 0.00 -0.24 1.20 0.00 0.00 173.24 173.37 1d8j n SER 6 N -0.32 0.00 0.00 5.45 2.88 -1.26 -5.08 113.62 115.29 1d8j n SER 6 Ca -0.09 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1d8j n SER 6 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d8j n GLY 7 N 5.00 0.42 3.66 0.46 0.00 -1.26 -4.64 105.19 108.82 1d8j n GLY 7 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1d8j n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1d8j n TYR 8 N 0.00 2.50 0.00 1.61 9.36 -1.26 -0.41 117.16 128.96 1d8j n TYR 8 Ca 0.00 -0.36 0.00 0.00 3.32 0.00 0.00 57.90 60.86 1d8j n TYR 8 Cb 0.00 -2.80 0.00 0.00 -0.63 0.00 0.00 39.34 35.91 1d8j n TYR 8 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1d8j n LYS 9 N 7.53 0.00 -0.20 2.98 5.02 -1.26 -4.47 118.16 127.77 1d8j n LYS 9 Ca 0.20 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1d8j n LYS 9 Cb 0.40 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.48 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1d8j h PHE 10 N 0.00 0.58 -0.02 2.13 0.04 -1.97 -0.16 116.94 117.54 1d8j h PHE 10 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1d8j h PHE 10 Cb 0.00 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1d8j h PHE 10 CO 0.00 0.29 0.01 0.78 -0.60 0.00 0.00 178.31 178.79 1d8j h GLY 11 N 0.60 0.03 0.80 -1.45 0.00 -0.95 0.37 103.07 102.48 1d8j h GLY 11 Ca 0.25 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.60 1d8j h GLY 11 CO -0.16 0.01 0.12 -2.08 0.00 0.00 0.00 176.54 174.44 1d8j h VAL 12 N -0.04 0.95 -0.40 4.60 2.07 -1.58 -1.11 116.25 120.75 1d8j h VAL 12 Ca 0.01 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1d8j h VAL 12 Cb 0.07 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1d8j h VAL 12 CO -0.00 0.05 0.25 0.25 0.02 0.00 0.00 177.57 178.14 1d8j h LEU 13 N 0.27 0.42 -0.59 2.57 5.85 -0.83 0.05 115.31 123.04 1d8j h LEU 13 Ca 0.13 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1d8j h LEU 13 Cb 0.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1d8j h LEU 13 CO -0.11 0.30 0.39 0.00 -0.34 0.00 0.00 178.44 178.68 1d8j h ALA 14 N 1.16 0.76 -0.58 1.25 0.00 -0.54 0.10 119.26 121.41 1d8j h ALA 14 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1d8j h ALA 14 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1d8j h ALA 14 CO -0.05 0.17 0.00 -0.22 0.00 0.00 0.00 179.25 179.14 1d8j h LYS 15 N 0.78 1.02 -0.27 0.00 3.64 -0.86 -0.66 116.57 120.21 1d8j h LYS 15 Ca 0.22 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1d8j h LYS 15 Cb -0.07 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1d8j h LYS 15 CO -0.06 1.00 0.13 0.82 -2.27 0.00 0.00 179.45 179.07 1d8j h ILE 16 N 0.93 1.14 -0.20 2.00 2.04 -0.43 0.13 117.51 123.13 1d8j h ILE 16 Ca 0.17 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1d8j h ILE 16 Cb 0.54 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1d8j h ILE 16 CO 0.03 0.14 0.07 0.58 0.00 0.00 0.00 178.15 178.97 1d8j h VAL 17 N 0.31 0.95 -0.66 1.67 2.07 -0.56 0.09 116.25 120.12 1d8j h VAL 17 Ca 0.09 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1d8j h VAL 17 Cb 0.11 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1d8j h VAL 17 CO -0.01 0.03 0.23 -1.13 0.02 0.00 0.00 177.57 176.70 1d8j h ASN 18 N 0.16 0.91 0.60 0.57 -1.24 -0.91 0.17 115.58 115.85 1d8j h ASN 18 Ca 0.09 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 56.92 1d8j h ASN 18 Cb 0.06 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 38.87 1d8j h ASN 18 CO -0.09 0.84 -0.29 0.22 -1.29 0.00 0.00 177.43 176.82 1d8j h TYR 19 N 0.96 -0.75 -0.55 0.67 3.20 -0.20 0.67 116.97 120.97 1d8j h TYR 19 Ca 0.22 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1d8j h TYR 19 Cb 0.24 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1d8j h TYR 19 CO 0.02 -0.43 0.36 0.52 -1.64 0.00 0.00 178.16 176.99 1d8j h MET 20 N -0.91 0.72 -0.37 1.82 2.86 -0.87 0.12 114.93 118.30 1d8j h MET 20 Ca -0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1d8j h MET 20 Cb 0.65 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1d8j h MET 20 CO 0.14 0.47 0.22 -0.22 1.06 0.00 0.00 176.91 178.58 1d8j h LYS 21 N 0.74 0.50 -0.28 1.72 3.64 -0.39 0.11 116.57 122.60 1d8j h LYS 21 Ca 0.20 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1d8j h LYS 21 Cb -0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1d8j h LYS 21 CO -0.04 0.38 -0.08 1.15 -2.27 0.00 0.00 179.45 178.58 1d8j h THR 22 N 0.48 1.28 -0.41 1.00 2.02 0.22 0.12 112.91 117.62 1d8j h THR 22 Ca 0.13 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1d8j h THR 22 Cb 0.01 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1d8j h THR 22 CO -0.02 0.35 0.27 -0.09 0.37 0.00 0.00 175.52 176.40 1d8j h ARG 23 N 0.31 0.54 -0.78 6.66 2.43 -0.64 -1.31 114.38 121.59 1d8j h ARG 23 Ca 0.07 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1d8j h ARG 23 Cb 0.57 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1d8j h ARG 23 CO 0.03 0.36 0.30 1.25 -1.51 0.00 0.00 179.97 180.40 1d8j h HIS 24 N 0.56 1.18 0.00 2.20 2.76 -0.75 -2.75 115.15 118.35 1d8j h HIS 24 Ca 0.15 -0.09 -0.41 0.00 -2.20 0.00 0.00 60.37 57.82 1d8j h HIS 24 Cb -0.06 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.52 1d8j h HIS 24 CO -0.05 0.90 1.63 0.94 -1.30 0.00 0.00 177.93 180.05 1d8j n GLN 25 N -4.27 2.74 0.17 5.26 7.27 0.40 -3.66 117.38 125.28 1d8j n GLN 25 Ca 0.07 -1.54 0.00 0.00 0.07 0.00 0.00 57.00 55.60 1d8j n GLN 25 Cb 0.19 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.48 1d8j n GLN 25 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1d8j n ARG 26 N 3.05 0.00 0.00 3.69 1.74 -1.08 -4.85 116.66 119.21 1d8j n ARG 26 Ca 0.59 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1d8j n ARG 26 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 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 -1.36 -0.00 3.23 -0.13 0.00 -1.06 -5.04 105.19 100.83 1d8j n GLY 27 Ca 0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.12 3.53 -0.04 1.61 9.92 -1.15 -4.61 116.55 124.69 1d8j n ASP 28 Ca 0.00 -2.78 0.14 0.00 -0.53 0.00 0.00 54.79 51.62 1d8j n ASP 28 Cb 0.00 -1.54 0.54 0.00 -0.64 0.00 0.00 41.12 39.49 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1d8j n THR 29 N 6.30 0.00 -1.62 -3.53 -2.24 -1.26 -3.45 114.28 108.48 1d8j n THR 29 Ca 0.49 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.92 1d8j n THR 29 Cb 0.43 -0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.80 2.45 0.73 4.78 -3.43 -1.26 -4.75 115.29 111.01 1d8j s HIS 30 Ca 0.19 1.57 -0.11 0.00 -0.80 0.00 0.00 55.06 55.92 1d8j s HIS 30 Cb 0.19 -3.24 0.03 0.00 -1.43 0.00 0.00 32.58 28.14 1d8j s HIS 30 CO 0.55 -1.94 1.07 -1.25 -2.00 0.00 0.00 174.74 171.16 1d8j s PRO 31 N -4.12 2.62 -0.00 -0.38 0.04 -1.26 -4.84 135.00 127.05 1d8j s PRO 31 Ca 0.68 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.71 1d8j s PRO 31 Cb -0.22 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1d8j s PRO 31 CO 0.44 -1.33 -0.07 -0.51 0.04 0.00 0.00 177.00 175.56 1d8j s LEU 32 N -5.69 2.03 1.15 -3.56 1.43 0.20 -4.76 118.68 109.48 1d8j s LEU 32 Ca 0.59 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1d8j s LEU 32 Cb -0.15 -0.37 0.28 0.00 0.03 0.00 0.00 46.19 45.98 1d8j s LEU 32 CO 0.55 0.08 1.04 0.42 0.23 0.00 0.00 176.35 178.66 1d8j s THR 33 N -0.23 2.02 0.10 5.49 -4.23 -1.26 -0.54 115.64 116.98 1d8j s THR 33 Ca 0.02 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.31 1d8j s THR 33 Cb -0.03 -2.10 -0.12 0.00 1.34 0.00 0.00 72.50 71.58 1d8j s THR 33 CO -0.00 -0.01 1.73 0.25 -0.54 0.00 0.00 174.62 176.04 1d8j h LEU 34 N -2.57 -0.08 -0.79 4.79 7.12 -1.95 -2.33 115.31 119.50 1d8j h LEU 34 Ca -0.61 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.40 1d8j h LEU 34 Cb 1.33 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.47 1d8j h LEU 34 CO 0.51 -0.04 0.43 0.44 -0.13 0.00 0.00 178.44 179.65 1d8j h ASP 35 N -0.04 0.99 -0.72 1.25 3.32 -2.00 -1.83 116.42 117.39 1d8j h ASP 35 Ca 0.02 -0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.09 1d8j h ASP 35 Cb 0.07 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 1d8j h ASP 35 CO -0.04 0.80 0.48 -0.33 -1.72 0.00 0.00 179.24 178.43 1d8j h GLU 36 N 1.10 0.50 -0.22 3.56 5.08 -1.83 -1.22 114.58 121.55 1d8j h GLU 36 Ca 0.28 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1d8j h GLU 36 Cb 0.03 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1d8j h GLU 36 CO -0.04 0.33 -0.25 0.82 -1.00 0.00 0.00 179.01 178.86 1d8j h ILE 37 N 0.51 1.33 -0.93 3.13 2.04 -0.81 -3.15 117.51 119.63 1d8j h ILE 37 Ca 0.34 -1.44 0.19 0.00 1.00 0.00 0.00 64.86 64.95 1d8j h ILE 37 Cb 0.63 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.38 1d8j h ILE 37 CO -0.11 0.44 0.60 -0.07 0.00 0.00 0.00 178.15 179.01 1d8j h LEU 38 N 0.24 0.55 0.80 1.44 3.38 -0.80 -1.33 115.31 119.60 1d8j h LEU 38 Ca 0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1d8j h LEU 38 Cb 0.82 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1d8j h LEU 38 CO 0.06 0.22 -0.50 -0.78 0.09 0.00 0.00 178.44 177.53 1d8j h ASP 39 N 0.55 -1.27 0.35 -0.43 3.58 -1.45 -0.16 116.42 117.59 1d8j h ASP 39 Ca 0.49 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 1d8j h ASP 39 Cb 1.03 0.37 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1d8j h ASP 39 CO -0.23 -0.77 -0.17 -0.33 -2.88 0.00 0.00 179.24 174.86 1d8j h GLU 40 N -1.22 -0.46 -5.77 0.28 4.39 -1.53 -3.25 114.58 107.02 1d8j h GLU 40 Ca -0.11 0.03 -0.59 0.00 0.34 0.00 0.00 59.36 59.03 1d8j h GLU 40 Cb 0.98 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.66 1d8j h GLU 40 CO 0.10 -0.30 1.91 0.95 -1.16 0.00 0.00 179.01 180.51 1d8j s THR 41 N -3.86 3.97 -0.40 1.13 -4.23 -0.55 -4.86 115.64 106.84 1d8j s THR 41 Ca -0.07 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1d8j s THR 41 Cb 0.01 -5.04 -0.14 0.00 1.34 0.00 0.00 72.50 68.67 1d8j s THR 41 CO 0.21 -1.78 1.09 1.67 -0.54 0.00 0.00 174.62 175.28 1d8j n GLN 42 N 8.39 0.00 -1.41 3.99 -0.06 -1.05 -4.42 117.38 122.81 1d8j n GLN 42 Ca 0.47 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.51 1d8j n GLN 42 Cb 0.46 -0.63 0.02 0.00 -4.06 0.00 0.00 30.24 26.03 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1d8j n HIS 43 N 3.24 0.00 -0.30 3.69 8.25 -0.10 -4.88 115.22 125.12 1d8j n HIS 43 Ca 0.27 -0.46 0.01 0.00 -0.26 0.00 0.00 57.72 57.28 1d8j n HIS 43 Cb 0.17 -0.12 0.19 0.00 1.12 0.00 0.00 29.99 31.35 1d8j n HIS 43 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1d8j h LEU 44 N 0.90 0.98 -6.44 2.41 3.38 -1.82 -2.47 115.31 112.26 1d8j h LEU 44 Ca -0.22 -0.02 -0.76 0.00 0.09 0.00 0.00 57.88 56.97 1d8j h LEU 44 Cb 1.85 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 42.19 1d8j h LEU 44 CO 0.08 0.69 1.88 -0.67 0.09 0.00 0.00 178.44 180.52 1d8j n ASP 45 N -4.42 5.52 -0.10 -0.43 2.03 -1.26 -4.64 116.55 113.24 1d8j n ASP 45 Ca 0.11 -3.16 -0.24 0.00 0.52 0.00 0.00 54.79 52.02 1d8j n ASP 45 Cb 0.07 -1.44 -0.12 0.00 -0.72 0.00 0.00 41.12 38.91 1d8j n ASP 45 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d8j n ILE 46 N 2.88 1.57 0.00 5.18 3.06 -0.93 -5.11 119.36 126.02 1d8j n ILE 46 Ca 0.40 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 60.31 1d8j n ILE 46 Cb 0.35 -1.84 0.00 0.00 0.54 0.00 0.00 39.64 38.68 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 1.60 2.82 0.35 4.50 0.00 -1.26 -4.67 105.19 108.53 1d8j n GLY 47 Ca -0.41 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 0.74 -1.62 0.99 6.46 -1.98 0.92 115.31 120.83 1d8j h LEU 48 Ca 0.00 0.10 0.08 0.00 -0.12 0.00 0.00 57.88 57.94 1d8j h LEU 48 Cb 0.00 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1d8j h LEU 48 CO 0.00 0.26 0.39 0.07 -0.62 0.00 0.00 178.44 178.54 1d8j h LYS 49 N 0.74 0.43 0.03 1.25 2.10 -1.99 0.73 116.57 119.86 1d8j h LYS 49 Ca 0.57 -0.03 -0.27 0.00 -2.00 0.00 0.00 60.65 58.92 1d8j h LYS 49 Cb 0.87 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.08 1d8j h LYS 49 CO -0.39 0.29 -1.45 1.96 -2.00 0.00 0.00 179.45 177.86 1d8j h GLN 50 N 0.45 0.07 -0.33 0.07 4.20 -1.22 -3.20 115.11 115.16 1d8j h GLN 50 Ca 0.26 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.92 1d8j h GLN 50 Cb 0.44 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.18 1d8j h GLN 50 CO -0.07 1.06 -0.24 -0.22 -0.67 0.00 0.00 178.83 178.69 1d8j h LYS 51 N -0.73 -0.19 -0.50 1.46 1.63 -0.75 0.10 116.57 117.59 1d8j h LYS 51 Ca -0.37 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.47 1d8j h LYS 51 Cb 1.49 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 33.14 1d8j h LYS 51 CO -0.13 -0.13 0.30 0.37 -3.45 0.00 0.00 179.45 176.41 1d8j h GLN 52 N -0.20 0.58 0.22 1.90 5.75 -1.04 -1.53 115.11 120.79 1d8j h GLN 52 Ca 0.17 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1d8j h GLN 52 Cb 0.46 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1d8j h GLN 52 CO -0.45 0.38 -0.24 2.35 -2.65 0.00 0.00 178.83 178.23 1d8j h TRP 53 N 0.60 -0.62 -0.67 3.99 7.01 -1.28 -0.56 115.95 124.41 1d8j h TRP 53 Ca 0.20 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.33 1d8j h TRP 53 Cb 0.01 0.25 -0.09 0.00 -2.10 0.00 0.00 29.16 27.22 1d8j h TRP 53 CO -0.06 -0.35 0.19 -0.07 -2.79 0.00 0.00 178.44 175.36 1d8j h LEU 54 N -0.49 0.09 0.28 0.65 3.38 -0.59 -0.19 115.31 118.43 1d8j h LEU 54 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1d8j h LEU 54 Cb 0.47 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1d8j h LEU 54 CO -0.06 0.03 -0.13 -0.03 0.09 0.00 0.00 178.44 178.33 1d8j h MET 55 N 0.32 -0.36 -1.62 1.13 4.05 -0.65 -0.87 114.93 116.94 1d8j h MET 55 Ca 0.36 0.02 -0.59 0.00 -0.28 0.00 0.00 59.70 59.22 1d8j h MET 55 Cb 0.55 0.08 -0.42 0.00 -0.80 0.00 0.00 31.60 31.01 1d8j h MET 55 CO -0.42 -0.21 -0.72 -2.37 0.23 0.00 0.00 176.91 173.41 1d8j n THR 56 N -5.23 2.44 0.04 -0.77 5.66 -0.28 -4.62 114.28 111.53 1d8j n THR 56 Ca -0.10 -5.00 0.00 0.00 -3.05 0.00 0.00 64.05 55.90 1d8j n THR 56 Cb 0.18 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 67.70 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1d8j n GLU 57 N -0.44 0.00 0.32 1.09 4.07 -0.12 -4.91 120.64 120.66 1d8j n GLU 57 Ca 0.38 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.34 1d8j n GLU 57 Cb 0.63 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.94 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d8j h ALA 58 N 0.00 -0.90 -0.01 4.31 0.00 -1.53 -3.15 119.26 117.98 1d8j h ALA 58 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1d8j h ALA 58 Cb 0.00 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1d8j h ALA 58 CO 0.00 -0.83 0.01 1.28 0.00 0.00 0.00 179.25 179.71 1d8j n LEU 59 N -5.21 4.79 0.00 0.00 4.77 -0.33 -2.02 117.00 118.99 1d8j n LEU 59 Ca -0.11 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1d8j n LEU 59 Cb 0.34 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1d8j n LEU 59 CO 0.26 0.89 -0.27 0.52 -1.33 0.00 0.00 177.39 177.46 1d8j n VAL 60 N 1.21 0.00 0.39 4.08 0.31 -1.21 -4.85 118.33 118.27 1d8j n VAL 60 Ca 0.01 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1d8j n VAL 60 Cb 0.51 -0.71 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 1d8j n VAL 60 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1d8j n ASN 61 N -2.46 0.76 -4.69 4.52 0.23 -1.19 -5.00 115.26 107.43 1d8j n ASN 61 Ca 0.00 -0.88 -0.42 0.00 -0.53 0.00 0.00 54.58 52.75 1d8j n ASN 61 Cb 0.27 0.73 -0.03 0.00 -2.08 0.00 0.00 39.78 38.67 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1d8j s ASN 62 N -1.51 6.47 0.39 0.53 3.84 -0.86 -4.88 114.94 118.93 1d8j s ASN 62 Ca 0.05 2.69 0.07 0.00 0.21 0.00 0.00 52.86 55.88 1d8j s ASN 62 Cb 0.07 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 39.02 1d8j s ASN 62 CO 0.28 -0.99 2.02 1.55 -2.79 0.00 0.00 177.10 177.17 1d8j h PRO 63 N 8.77 0.61 -0.88 0.43 0.13 -1.94 -1.67 132.00 137.45 1d8j h PRO 63 Ca -0.46 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1d8j h PRO 63 Cb 1.22 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1d8j h PRO 63 CO 0.94 0.41 0.03 1.63 -0.23 0.00 0.00 178.00 180.78 1d8j n LYS 64 N -4.47 2.22 -4.13 0.86 5.02 -1.26 -4.71 118.16 111.69 1d8j n LYS 64 Ca 0.06 -1.08 -0.15 0.00 -2.02 0.00 0.00 58.31 55.12 1d8j n LYS 64 Cb 0.13 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 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 -1.54 0.50 -0.07 -0.18 -1.09 -0.63 -1.00 121.20 117.20 1d8j s ILE 65 Ca 0.19 -0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 1d8j s ILE 65 Cb 0.15 -0.49 0.02 0.00 -1.58 0.00 0.00 42.46 40.56 1d8j s ILE 65 CO 0.05 -0.09 0.21 -1.83 -1.23 0.00 0.00 174.94 172.05 1d8j s GLU 66 N -0.76 0.29 -0.12 2.79 -1.05 0.07 -4.67 118.70 115.26 1d8j s GLU 66 Ca -0.03 0.20 -0.11 0.00 -0.15 0.00 0.00 54.97 54.88 1d8j s GLU 66 Cb -0.06 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 1d8j s GLU 66 CO 0.00 -0.04 0.24 0.08 0.95 0.00 0.00 175.26 176.48 1d8j s VAL 67 N -0.11 5.34 -0.12 1.83 1.01 -1.26 -0.91 120.40 126.18 1d8j s VAL 67 Ca -0.02 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 1d8j s VAL 67 Cb -0.02 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1d8j s VAL 67 CO 0.01 0.53 -0.26 -0.38 0.00 0.00 0.00 175.10 174.99 1d8j n ILE 68 N 2.58 1.41 -2.76 2.22 -0.00 -1.09 -4.96 119.36 116.75 1d8j n ILE 68 Ca -0.16 0.16 -0.05 0.00 -0.00 0.00 0.00 62.75 62.70 1d8j n ILE 68 Cb 0.53 -2.13 0.02 0.00 -0.00 0.00 0.00 39.64 38.07 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 -4.20 -3.30 0.00 4.38 2.03 -1.26 -4.95 116.55 109.26 1d8j n ASP 69 Ca -0.14 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1d8j n ASP 69 Cb 0.43 1.76 0.00 0.00 -0.72 0.00 0.00 41.12 42.59 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 2.62 1.17 3.81 0.27 0.00 -1.26 -4.95 105.19 106.85 1d8j n GLY 70 Ca 0.16 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 4.32 -0.20 1.61 1.02 -1.26 -4.76 119.74 120.46 1d8j s LYS 71 Ca 0.00 1.02 -0.07 0.00 0.02 0.00 0.00 55.97 56.93 1d8j s LYS 71 Cb 0.00 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1d8j s LYS 71 CO 0.00 0.28 0.06 0.71 -0.92 0.00 0.00 175.35 175.48 1d8j s TYR 72 N -1.69 3.18 0.11 3.18 2.02 0.30 -2.68 117.35 121.77 1d8j s TYR 72 Ca 0.49 -0.09 0.07 0.00 -0.37 0.00 0.00 57.07 57.16 1d8j s TYR 72 Cb -0.16 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 1d8j s TYR 72 CO 0.20 -0.02 -0.06 0.00 -1.57 0.00 0.00 175.55 174.10 1d8j s ALA 73 N 0.80 3.07 -0.18 3.71 0.00 -0.09 -0.63 121.76 128.44 1d8j s ALA 73 Ca 0.03 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 1d8j s ALA 73 Cb -0.14 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 1d8j s ALA 73 CO 0.02 0.64 1.07 0.12 0.00 0.00 0.00 175.76 177.61 1d8j s PHE 74 N -1.31 3.32 -0.12 0.00 5.36 -1.26 -0.75 117.98 123.22 1d8j s PHE 74 Ca 0.23 1.43 -0.29 0.00 -0.96 0.00 0.00 56.93 57.34 1d8j s PHE 74 Cb -0.11 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 39.26 1d8j s PHE 74 CO 0.16 -0.60 1.30 0.21 -1.46 0.00 0.00 175.22 174.83 1d8j s LYS 75 N 2.90 4.25 0.21 10.12 2.20 -0.17 -4.86 119.74 134.40 1d8j s LYS 75 Ca 0.47 1.74 -0.31 0.00 -0.36 0.00 0.00 55.97 57.51 1d8j s LYS 75 Cb -0.17 -3.74 -0.11 0.00 -1.51 0.00 0.00 37.83 32.30 1d8j s LYS 75 CO 0.11 -0.67 1.58 -1.25 -0.36 0.00 0.00 175.35 174.75 1d8j s PRO 76 N 3.27 4.19 -0.29 4.03 0.04 -1.26 -4.69 135.00 140.30 1d8j s PRO 76 Ca 0.57 2.44 -0.14 0.00 0.04 0.00 0.00 61.00 63.92 1d8j s PRO 76 Cb -0.24 -3.11 0.12 0.00 0.04 0.00 0.00 34.50 31.31 1d8j s PRO 76 CO 0.18 -0.60 0.74 0.21 0.04 0.00 0.00 177.00 177.57 1d8j s LYS 77 N 0.52 0.57 5.19 4.56 2.47 -1.26 -5.09 119.74 126.71 1d8j s LYS 77 Ca 0.67 1.20 0.00 0.00 -1.56 0.00 0.00 55.97 56.28 1d8j s LYS 77 Cb -0.45 0.46 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1d8j s LYS 77 CO 0.37 -0.16 0.00 0.66 0.16 0.00 0.00 175.35 176.38 1d8j n TYR 78 N 4.77 0.00 -1.12 4.03 4.01 -1.26 -4.97 117.16 122.62 1d8j n TYR 78 Ca -0.15 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.72 1d8j n TYR 78 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 1d8j n TYR 78 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1d8j n ASN 79 N 10.88 -6.29 -0.04 7.72 3.02 -1.26 -4.80 115.26 124.48 1d8j n ASN 79 Ca 0.00 1.02 -0.06 0.00 -0.03 0.00 0.00 54.58 55.52 1d8j n ASN 79 Cb 0.00 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.34 1d8j n ASN 79 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1d8j h VAL 80 N -1.09 0.66 0.00 2.41 2.07 -2.03 -3.56 116.25 114.71 1d8j h VAL 80 Ca -0.13 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1d8j h VAL 80 Cb 1.07 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1d8j h VAL 80 CO 0.05 0.22 0.00 -1.14 0.02 0.00 0.00 177.57 176.72