#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n69 s ASP 0 N 0.00 5.43 0.00 6.12 -0.00 -1.26 -5.08 116.67 121.89 1n69 s ASP 0 Ca 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 52.55 51.06 1n69 s ASP 0 Cb 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 42.92 41.01 1n69 s ASP 0 CO 0.00 -0.47 0.00 0.61 -0.00 0.00 0.00 175.17 175.31 1n69 n GLY 1 N 4.81 2.56 3.52 0.21 0.00 -1.26 -5.11 105.19 109.91 1n69 n GLY 1 Ca -0.09 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.42 1n69 n GLY 1 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n69 s ASP 2 N -0.99 5.31 0.24 1.61 -1.08 -1.26 -5.02 116.67 115.47 1n69 s ASP 2 Ca 0.00 -0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 51.88 1n69 s ASP 2 Cb 0.00 -1.93 0.40 0.00 -1.46 0.00 0.00 42.92 39.92 1n69 s ASP 2 CO 0.00 0.05 1.77 0.58 0.52 0.00 0.00 175.17 178.09 1n69 h VAL 3 N 5.29 0.80 -0.23 1.11 2.07 -1.98 0.19 116.25 123.50 1n69 h VAL 3 Ca -0.37 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1n69 h VAL 3 Cb 1.18 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1n69 h VAL 3 CO 0.62 0.11 0.11 0.00 0.02 0.00 0.00 177.57 178.43 1n69 h GLN 5 N 0.25 1.09 -0.58 0.00 1.08 -1.77 -1.12 115.11 114.05 1n69 h GLN 5 Ca 0.08 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1n69 h GLN 5 Cb 0.12 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1n69 h GLN 5 CO -0.01 0.99 0.35 -0.44 -0.95 0.00 0.00 178.83 178.77 1n69 h ASP 6 N 1.02 0.56 -0.52 1.46 3.32 -0.30 -0.84 116.42 121.11 1n69 h ASP 6 Ca 0.20 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1n69 h ASP 6 Cb 0.44 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1n69 h ASP 6 CO 0.01 0.39 0.22 0.00 -1.72 0.00 0.00 179.24 178.15 1n69 h ILE 8 N 0.71 1.13 -0.33 0.00 2.04 -0.73 0.60 117.51 120.92 1n69 h ILE 8 Ca 0.18 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1n69 h ILE 8 Cb 0.17 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1n69 h ILE 8 CO -0.02 0.13 0.08 -0.61 0.00 0.00 0.00 178.15 177.73 1n69 h GLN 9 N 0.59 0.53 -0.18 2.37 5.75 -1.01 -1.23 115.11 121.93 1n69 h GLN 9 Ca 0.16 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1n69 h GLN 9 Cb -0.03 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1n69 h GLN 9 CO -0.03 0.59 0.06 1.98 -2.65 0.00 0.00 178.83 178.78 1n69 h MET 10 N 0.38 0.15 -0.46 1.69 4.05 -0.71 0.39 114.93 120.42 1n69 h MET 10 Ca 0.10 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 1n69 h MET 10 Cb 0.29 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1n69 h MET 10 CO 0.00 0.10 -0.03 0.28 0.23 0.00 0.00 176.91 177.48 1n69 h VAL 11 N 0.15 1.25 -0.67 -5.77 2.07 -0.82 -0.75 116.25 111.71 1n69 h VAL 11 Ca 0.08 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1n69 h VAL 11 Cb 0.05 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1n69 h VAL 11 CO -0.08 0.36 0.43 0.74 0.02 0.00 0.00 177.57 179.04 1n69 h THR 12 N 0.72 1.18 -0.54 2.57 2.02 -0.69 -1.19 112.91 116.98 1n69 h THR 12 Ca 0.14 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1n69 h THR 12 Cb 0.49 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1n69 h THR 12 CO 0.02 0.18 0.06 0.44 0.37 0.00 0.00 175.52 176.59 1n69 h ASP 13 N 0.90 0.89 -0.55 4.18 3.32 -0.41 -2.51 116.42 122.24 1n69 h ASP 13 Ca 0.24 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1n69 h ASP 13 Cb -0.07 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1n69 h ASP 13 CO -0.05 0.94 0.26 0.40 -1.72 0.00 0.00 179.24 179.07 1n69 h ILE 14 N 0.80 1.21 -0.49 0.35 2.04 -0.78 0.14 117.51 120.78 1n69 h ILE 14 Ca 0.16 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1n69 h ILE 14 Cb 0.45 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1n69 h ILE 14 CO 0.02 0.24 0.16 1.56 0.00 0.00 0.00 178.15 180.12 1n69 h GLN 15 N 0.75 0.72 -0.24 2.37 4.20 -1.16 0.11 115.11 121.85 1n69 h GLN 15 Ca 0.19 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1n69 h GLN 15 Cb 0.14 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1n69 h GLN 15 CO -0.02 0.62 -0.12 1.15 -0.67 0.00 0.00 178.83 179.79 1n69 h THR 16 N 0.70 1.30 -0.29 -0.54 2.02 -1.02 -2.60 112.91 112.49 1n69 h THR 16 Ca 0.16 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.05 1n69 h THR 16 Cb 0.20 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1n69 h THR 16 CO -0.01 0.37 -0.23 0.00 0.37 0.00 0.00 175.52 176.03 1n69 h ALA 17 N 0.72 1.07 -0.46 6.16 0.00 -0.20 -2.66 119.26 123.90 1n69 h ALA 17 Ca 0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1n69 h ALA 17 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1n69 h ALA 17 CO 0.04 0.57 -0.20 0.28 0.00 0.00 0.00 179.25 179.93 1n69 h VAL 18 N 0.48 1.27 -0.82 0.00 2.07 -0.80 -0.03 116.25 118.43 1n69 h VAL 18 Ca 0.07 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1n69 h VAL 18 Cb 0.66 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1n69 h VAL 18 CO 0.05 0.46 0.35 0.03 0.02 0.00 0.00 177.57 178.48 1n69 h ARG 19 N 0.80 1.21 -0.06 1.57 3.08 -1.31 -1.20 114.38 118.48 1n69 h ARG 19 Ca 0.11 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1n69 h ARG 19 Cb 0.76 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1n69 h ARG 19 CO 0.06 0.96 0.00 1.15 -1.07 0.00 0.00 179.97 181.07 1n69 h THR 20 N 1.18 1.23 -2.55 2.04 2.02 -1.29 -3.42 112.91 112.12 1n69 h THR 20 Ca 0.28 -0.72 -0.35 0.00 0.77 0.00 0.00 66.41 66.39 1n69 h THR 20 Cb 0.18 1.60 -0.36 0.00 -1.74 0.00 0.00 68.15 67.83 1n69 h THR 20 CO -0.03 0.20 -0.65 0.21 0.37 0.00 0.00 175.52 175.62 1n69 s ASN 21 N -5.59 1.69 0.00 4.18 3.84 -0.04 -5.03 114.94 113.99 1n69 s ASN 21 Ca -0.14 -0.42 0.00 0.00 0.21 0.00 0.00 52.86 52.51 1n69 s ASN 21 Cb 0.04 0.27 0.00 0.00 -0.55 0.00 0.00 41.25 41.02 1n69 s ASN 21 CO 0.69 -0.35 0.80 -1.54 -2.79 0.00 0.00 177.10 173.91 1n69 n SER 22 N 5.31 0.00 -0.61 -4.21 3.41 -0.48 -1.63 113.62 115.41 1n69 n SER 22 Ca -0.05 0.32 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 1n69 n SER 22 Cb 0.48 -0.32 0.41 0.00 -0.26 0.00 0.00 64.21 64.53 1n69 n SER 22 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1n69 n THR 23 N -1.30 0.01 -0.35 6.66 5.66 -1.26 -4.51 114.28 119.18 1n69 n THR 23 Ca 0.00 -0.32 0.10 0.00 -3.05 0.00 0.00 64.05 60.77 1n69 n THR 23 Cb 0.03 0.75 0.28 0.00 -1.55 0.00 0.00 70.33 69.83 1n69 n THR 23 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1n69 h PHE 24 N 2.96 1.10 -0.25 1.09 3.57 -1.60 -2.25 116.94 121.56 1n69 h PHE 24 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1n69 h PHE 24 Cb 0.63 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1n69 h PHE 24 CO 0.01 0.37 0.00 1.33 -2.23 0.00 0.00 178.31 177.78 1n69 n VAL 25 N -4.67 0.33 0.01 1.41 0.24 -1.26 -4.44 118.33 109.95 1n69 n VAL 25 Ca 0.20 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1n69 n VAL 25 Cb 0.44 0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.99 1n69 n VAL 25 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1n69 h GLN 26 N 1.76 -0.36 -0.96 7.34 4.15 -1.72 -1.52 115.11 123.79 1n69 h GLN 26 Ca 0.00 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.52 1n69 h GLN 26 Cb 0.40 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 1n69 h GLN 26 CO 0.00 -0.24 0.62 0.00 -1.93 0.00 0.00 178.83 177.28 1n69 h ALA 27 N 0.48 1.47 -0.51 3.38 0.00 -1.82 -1.10 119.26 121.15 1n69 h ALA 27 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1n69 h ALA 27 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n69 h ALA 27 CO -0.32 0.37 0.13 1.25 0.00 0.00 0.00 179.25 180.68 1n69 h LEU 28 N 1.09 0.77 -0.49 0.00 5.85 -1.71 -0.95 115.31 119.87 1n69 h LEU 28 Ca 0.42 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1n69 h LEU 28 Cb 0.23 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1n69 h LEU 28 CO -0.17 0.80 0.17 0.58 -0.34 0.00 0.00 178.44 179.48 1n69 h VAL 29 N 0.71 1.22 -0.61 1.05 2.07 -0.61 -1.30 116.25 118.77 1n69 h VAL 29 Ca 0.16 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1n69 h VAL 29 Cb 0.32 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1n69 h VAL 29 CO 0.00 0.26 0.29 -0.33 0.02 0.00 0.00 177.57 177.81 1n69 h GLU 30 N 0.65 0.87 -0.51 1.57 5.08 -1.06 -1.36 114.58 119.83 1n69 h GLU 30 Ca 0.16 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1n69 h GLU 30 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1n69 h GLU 30 CO -0.01 0.68 0.04 1.25 -1.00 0.00 0.00 179.01 179.97 1n69 h HIS 31 N 0.87 0.94 -0.36 4.33 2.76 -0.73 -0.78 115.15 122.17 1n69 h HIS 31 Ca 0.21 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1n69 h HIS 31 Cb 0.10 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 1n69 h HIS 31 CO 0.01 0.86 0.09 0.28 -1.30 0.00 0.00 177.93 177.88 1n69 h VAL 32 N 0.74 1.22 -0.76 5.26 2.07 -0.76 -2.44 116.25 121.58 1n69 h VAL 32 Ca 0.15 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1n69 h VAL 32 Cb 0.46 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1n69 h VAL 32 CO 0.02 0.26 0.33 0.50 0.02 0.00 0.00 177.57 178.69 1n69 h LYS 33 N 0.44 1.13 -0.46 1.57 3.64 -1.18 -2.94 116.57 118.76 1n69 h LYS 33 Ca 0.11 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1n69 h LYS 33 Cb 0.29 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1n69 h LYS 33 CO 0.00 0.90 0.06 0.93 -2.27 0.00 0.00 179.45 179.07 1n69 h GLU 34 N 1.09 0.71 0.00 1.90 5.08 -0.95 -2.00 114.58 120.41 1n69 h GLU 34 Ca 0.26 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1n69 h GLU 34 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n69 h GLU 34 CO -0.03 0.69 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 1n69 n GLU 35 N -4.26 0.64 0.26 2.33 -0.58 -0.93 -2.39 120.64 115.70 1n69 n GLU 35 Ca 0.03 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.88 1n69 n GLU 35 Cb 0.25 -1.50 0.70 0.00 -0.57 0.00 0.00 31.44 30.32 1n69 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n69 h ASP 37 N 0.00 0.00 0.52 0.00 3.32 -1.68 -1.83 116.42 116.75 1n69 h ASP 37 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n69 h ASP 37 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1n69 h ASP 37 CO 0.02 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.10 1n69 n ARG 38 N -3.35 0.07 0.00 3.56 5.12 -0.83 -1.58 116.66 119.66 1n69 n ARG 38 Ca -0.02 0.35 0.14 0.00 -1.93 0.00 0.00 57.85 56.38 1n69 n ARG 38 Cb 0.14 -1.65 0.60 0.00 -1.16 0.00 0.00 32.46 30.39 1n69 n ARG 38 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1n69 n LEU 39 N -1.79 0.17 0.00 0.55 4.77 -0.69 -5.04 117.00 114.98 1n69 n LEU 39 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1n69 n LEU 39 Cb 0.17 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1n69 n LEU 39 CO 0.14 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1n69 n GLY 40 N 1.40 -2.98 3.77 -0.72 0.00 -0.61 -4.63 105.19 101.41 1n69 n GLY 40 Ca 0.10 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 1n69 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n69 s PRO 41 N -0.88 4.37 0.00 1.61 0.04 -1.26 -2.40 135.00 136.49 1n69 s PRO 41 Ca 0.00 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1n69 s PRO 41 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1n69 s PRO 41 CO 0.00 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1n69 n GLY 42 N 0.90 2.02 0.28 0.56 0.00 -1.26 -4.66 105.19 103.03 1n69 n GLY 42 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 1n69 n GLY 42 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n69 h MET 43 N 0.00 0.81 -0.97 1.61 2.86 -1.82 -2.61 114.93 114.80 1n69 h MET 43 Ca 0.00 -0.26 0.25 0.00 -2.06 0.00 0.00 59.70 57.63 1n69 h MET 43 Cb 0.00 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.52 1n69 h MET 43 CO 0.00 0.87 0.65 0.00 1.06 0.00 0.00 176.91 179.49 1n69 h ALA 44 N 1.16 2.41 0.06 6.32 0.00 -1.61 0.18 119.26 127.78 1n69 h ALA 44 Ca 0.13 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 1n69 h ALA 44 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n69 h ALA 44 CO 0.03 -0.73 -1.07 -0.44 0.00 0.00 0.00 179.25 177.04 1n69 h ASP 45 N 0.30 0.47 -0.45 0.00 3.32 -1.76 -1.86 116.42 116.44 1n69 h ASP 45 Ca 0.51 -0.43 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1n69 h ASP 45 Cb 1.47 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1n69 h ASP 45 CO -0.17 1.27 -0.21 0.40 -1.72 0.00 0.00 179.24 178.80 1n69 h ILE 46 N 0.15 1.27 0.29 0.35 2.04 -0.67 -2.70 117.51 118.24 1n69 h ILE 46 Ca -0.10 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1n69 h ILE 46 Cb 1.75 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1n69 h ILE 46 CO 0.18 0.47 -0.14 0.00 0.00 0.00 0.00 178.15 178.66 1n69 h LYS 48 N -0.71 0.75 -0.19 0.00 1.57 -1.39 -0.04 116.57 116.56 1n69 h LYS 48 Ca -0.04 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1n69 h LYS 48 Cb 0.49 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1n69 h LYS 48 CO 0.06 0.50 -0.49 -0.97 -0.57 0.00 0.00 179.45 177.98 1n69 h ASN 49 N 0.77 0.54 0.45 0.86 -0.00 -1.51 -0.57 115.58 116.12 1n69 h ASN 49 Ca 0.40 -0.27 -0.02 0.00 -0.00 0.00 0.00 56.30 56.41 1n69 h ASN 49 Cb 0.39 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.56 1n69 h ASN 49 CO -0.26 0.94 -0.22 0.22 -0.00 0.00 0.00 177.43 178.12 1n69 h TYR 50 N 0.39 -0.56 -0.27 0.67 3.20 -0.38 0.02 116.97 120.04 1n69 h TYR 50 Ca 0.02 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1n69 h TYR 50 Cb 1.00 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1n69 h TYR 50 CO 0.04 -0.24 0.02 0.82 -1.64 0.00 0.00 178.16 177.15 1n69 h ILE 51 N -0.88 0.82 -0.44 1.81 2.04 -1.08 0.08 117.51 119.86 1n69 h ILE 51 Ca -0.06 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.86 1n69 h ILE 51 Cb 0.57 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1n69 h ILE 51 CO 0.10 0.02 0.31 -1.28 0.00 0.00 0.00 178.15 177.30 1n69 h SER 52 N 0.10 0.14 0.05 1.72 0.87 -1.05 0.26 113.55 115.64 1n69 h SER 52 Ca 0.13 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.52 1n69 h SER 52 Cb 0.16 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1n69 h SER 52 CO -0.20 0.08 -0.72 1.56 -0.53 0.00 0.00 176.83 177.03 1n69 h GLN 53 N 0.15 0.40 -0.18 2.24 4.20 0.84 -3.39 115.11 119.37 1n69 h GLN 53 Ca 0.20 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1n69 h GLN 53 Cb 0.61 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1n69 h GLN 53 CO -0.03 1.17 0.00 0.66 -0.67 0.00 0.00 178.83 179.96 1n69 n TYR 54 N -4.16 0.22 -0.07 2.96 4.02 -0.29 -4.65 117.16 115.20 1n69 n TYR 54 Ca -0.12 -0.15 -0.07 0.00 -0.01 0.00 0.00 57.90 57.55 1n69 n TYR 54 Cb 0.74 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.05 1n69 n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n69 h SER 55 N 3.39 -0.20 -0.70 7.72 4.64 -0.70 0.37 113.55 128.06 1n69 h SER 55 Ca 0.00 0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1n69 h SER 55 Cb 0.78 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 1n69 h SER 55 CO 0.00 -0.07 0.42 -0.33 -0.87 0.00 0.00 176.83 175.99 1n69 h GLU 56 N 0.03 0.78 -0.36 4.77 4.39 -1.84 0.12 114.58 122.46 1n69 h GLU 56 Ca 0.13 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1n69 h GLU 56 Cb 0.19 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1n69 h GLU 56 CO -0.26 0.52 -0.31 0.82 -1.16 0.00 0.00 179.01 178.61 1n69 h ILE 57 N 0.80 1.28 -0.49 3.13 2.04 -1.70 -1.56 117.51 121.02 1n69 h ILE 57 Ca 0.30 -1.46 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 1n69 h ILE 57 Cb 0.10 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1n69 h ILE 57 CO -0.14 0.48 0.06 0.00 0.00 0.00 0.00 178.15 178.55 1n69 h ALA 58 N 0.98 0.65 -0.79 1.87 0.00 0.35 -0.61 119.26 121.70 1n69 h ALA 58 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1n69 h ALA 58 Cb 0.85 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1n69 h ALA 58 CO 0.07 0.39 0.33 0.82 0.00 0.00 0.00 179.25 180.87 1n69 h ILE 59 N 0.69 1.26 -0.38 0.00 1.08 -0.66 -1.25 117.51 118.24 1n69 h ILE 59 Ca 0.15 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.78 1n69 h ILE 59 Cb 0.42 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1n69 h ILE 59 CO 0.01 0.33 0.08 1.56 -0.69 0.00 0.00 178.15 179.44 1n69 h GLN 60 N 1.15 0.62 0.01 2.37 4.20 -0.97 -1.13 115.11 121.36 1n69 h GLN 60 Ca 0.27 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1n69 h GLN 60 Cb 0.20 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1n69 h GLN 60 CO -0.02 0.66 -0.00 0.52 -0.67 0.00 0.00 178.83 179.31 1n69 h MET 61 N 0.48 -0.01 0.00 1.46 2.86 -0.85 -2.61 114.93 116.26 1n69 h MET 61 Ca 0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1n69 h MET 61 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1n69 h MET 61 CO 0.00 0.02 -0.14 0.52 1.06 0.00 0.00 176.91 178.37 1n69 h MET 62 N -0.04 0.00 0.00 1.72 2.86 -1.18 -0.64 114.93 117.65 1n69 h MET 62 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n69 h MET 62 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1n69 h MET 62 CO 0.00 0.14 0.00 -1.33 1.06 0.00 0.00 176.91 176.79 1n69 n MET 63 N -4.34 0.04 0.00 1.72 2.00 -0.43 -2.24 117.12 113.87 1n69 n MET 63 Ca -0.03 0.25 0.06 0.00 0.00 0.00 0.00 57.70 57.98 1n69 n MET 63 Cb 0.21 -1.57 0.04 0.00 0.00 0.00 0.00 33.22 31.90 1n69 n MET 63 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1n69 n HIS 64 N -1.65 0.00 -3.79 2.03 8.25 -0.29 -4.98 115.22 114.78 1n69 n HIS 64 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 1n69 n HIS 64 Cb 0.21 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 1n69 n HIS 64 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1n69 s MET 65 N -1.13 3.50 0.23 -0.41 -1.94 -0.95 -5.08 119.30 113.52 1n69 s MET 65 Ca 0.13 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.42 1n69 s MET 65 Cb 0.10 -2.90 -0.09 0.00 2.01 0.00 0.00 34.83 33.95 1n69 s MET 65 CO 0.18 0.47 0.95 -0.65 -0.01 0.00 0.00 175.02 175.97 1n69 s GLN 66 N -3.09 4.84 0.29 2.03 -1.52 -1.26 -4.91 119.66 116.04 1n69 s GLN 66 Ca 0.37 1.50 0.03 0.00 -1.95 0.00 0.00 55.36 55.31 1n69 s GLN 66 Cb -0.11 -3.29 0.73 0.00 -0.22 0.00 0.00 33.01 30.12 1n69 s GLN 66 CO 0.28 0.48 1.65 -1.35 -0.25 0.00 0.00 175.29 176.10 1n69 h PRO 67 N 4.27 0.21 -0.60 2.91 0.11 -1.92 0.12 132.00 137.11 1n69 h PRO 67 Ca -0.45 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1n69 h PRO 67 Cb 1.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1n69 h PRO 67 CO 0.68 0.14 0.18 0.87 -0.21 0.00 0.00 178.00 179.66 1n69 h LYS 68 N 0.22 0.91 -0.42 1.05 1.57 -1.93 0.79 116.57 118.76 1n69 h LYS 68 Ca 0.56 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1n69 h LYS 68 Cb 1.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1n69 h LYS 68 CO -0.65 0.79 0.14 1.49 -0.57 0.00 0.00 179.45 180.65 1n69 h GLU 69 N 0.88 0.65 -0.37 3.15 4.81 -1.21 0.81 114.58 123.30 1n69 h GLU 69 Ca 0.20 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1n69 h GLU 69 Cb 0.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1n69 h GLU 69 CO -0.01 0.63 0.15 0.82 -0.73 0.00 0.00 179.01 179.88 1n69 h ILE 70 N 0.54 1.19 0.00 2.32 2.04 -0.60 -1.07 117.51 121.93 1n69 h ILE 70 Ca 0.14 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 1n69 h ILE 70 Cb 0.25 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1n69 h ILE 70 CO -0.01 0.20 -0.31 0.00 0.00 0.00 0.00 178.15 178.04 1n69 h ALA 72 N 1.69 0.22 -0.01 0.00 0.00 -0.54 -0.80 119.26 119.81 1n69 h ALA 72 Ca -0.00 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1n69 h ALA 72 Cb 0.65 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1n69 h ALA 72 CO 0.04 0.37 -0.19 1.25 0.00 0.00 0.00 179.25 180.73 1n69 h LEU 73 N 0.14 -0.55 -0.25 0.00 5.85 -0.85 -2.57 115.31 117.08 1n69 h LEU 73 Ca -0.02 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1n69 h LEU 73 Cb 1.10 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1n69 h LEU 73 CO 0.10 -0.25 0.00 0.52 -0.34 0.00 0.00 178.44 178.47 1n69 n VAL 74 N -5.32 0.71 -0.08 1.05 0.31 -0.79 -4.93 118.33 109.29 1n69 n VAL 74 Ca -0.05 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1n69 n VAL 74 Cb 0.23 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1n69 n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n69 n GLY 75 N 0.47 0.80 0.10 2.92 0.00 -0.93 -4.97 105.19 103.58 1n69 n GLY 75 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1n69 n GLY 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n69 h PHE 76 N 0.00 0.00 -3.89 1.61 0.05 -1.42 -3.46 116.94 109.83 1n69 h PHE 76 Ca 0.00 0.00 -0.58 0.00 3.82 0.00 0.00 57.97 61.21 1n69 h PHE 76 Cb 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 35.95 37.73 1n69 h PHE 76 CO 0.00 0.00 -0.83 0.00 -0.18 0.00 0.00 178.31 177.30